4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide

C157H201Cl2F16N23O12 — CID 167615200

IUPAC4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC(C)C)c1ccccc1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2F)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/2C28H37F2N3O2.C27H39N3O2.C26H32F4N4O2.2C24H28ClF4N5O2/c2*1-18-13-21(26(31)35)14-19(2)23(18)15-22(33(4)5)17-32-25(34)16-24(20-9-7-6-8-10-20)28(11-12-28)27(3,29)30;1-18(2)12-22(21-10-8-7-9-11-21)15-26(31)29-17-24(30(5)6)16-25-19(3)13-23(27(28)32)14-20(25)4;1-15-5-6-17(13-32-15)20(26(9-10-26)25(2,29)30)12-21(35)33-14-18(34(3)4)11-16-7-8-19(24(31)36)23(28)22(16)27;2*1-23(28,29)24(4-5-24)17(22-32-10-14(25)11-33-22)9-20(35)31-12-15(34(2)3)6-13-7-19(27)16(21(30)36)8-18(13)26/h2*6-10,13-14,22,24H,11-12,15-17H2,1-5H3,(H2,31,35)(H,32,34);7-11,13-14,18,22,24H,12,15-17H2,1-6H3,(H2,28,32)(H,29,31);5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*7-8,10-11,15,17H,4-6,9,12H2,1-3H3,(H2,30,36)(H,31,35)/t22-,24+;22-,24-;22-,24+;18-,20+;15-,17+;15-,17-/m001000/s1
InChIKeyLQGPBWYVDYRVGX-MIEIODECSA-N
MW2977.36 g/mol
LogP24.79
Rot. Bonds66

About 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide

4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide (PubChem CID 167615200) has the molecular formula C157H201Cl2F16N23O12 and a molecular weight of 2977.36 g/mol. Its IUPAC name is 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide
PubChem CID167615200
Molecular FormulaC157H201Cl2F16N23O12
Molecular Weight2977.36 g/mol
Exact Mass2974.49
IUPAC Name4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC(C)C)c1ccccc1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2F)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/2C28H37F2N3O2.C27H39N3O2.C26H32F4N4O2.2C24H28ClF4N5O2/c2*1-18-13-21(26(31)35)14-19(2)23(18)15-22(33(4)5)17-32-25(34)16-24(20-9-7-6-8-10-20)28(11-12-28)27(3,29)30;1-18(2)12-22(21-10-8-7-9-11-21)15-26(31)29-17-24(30(5)6)16-25-19(3)13-23(27(28)32)14-20(25)4;1-15-5-6-17(13-32-15)20(26(9-10-26)25(2,29)30)12-21(35)33-14-18(34(3)4)11-16-7-8-19(24(31)36)23(28)22(16)27;2*1-23(28,29)24(4-5-24)17(22-32-10-14(25)11-33-22)9-20(35)31-12-15(34(2)3)6-13-7-19(27)16(21(30)36)8-18(13)26/h2*6-10,13-14,22,24H,11-12,15-17H2,1-5H3,(H2,31,35)(H,32,34);7-11,13-14,18,22,24H,12,15-17H2,1-6H3,(H2,28,32)(H,29,31);5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*7-8,10-11,15,17H,4-6,9,12H2,1-3H3,(H2,30,36)(H,31,35)/t22-,24+;22-,24-;22-,24+;18-,20+;15-,17+;15-,17-/m001000/s1
InChIKeyLQGPBWYVDYRVGX-MIEIODECSA-N
XLogP24.79
TPSA517.03 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds66
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.36
LogP ≤ 524.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide with MolForge

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Related Compounds

3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167574166
3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide
CID 166025434
3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2-methylphenyl)propyl]propanamide
CID 167668755
3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167562032
3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(5-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-phenylpropanamide
CID 167580217
4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(Z)-3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide
CID 167532089
3-(5-chloropyrimidin-2-yl)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405415
(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-phenylpropanamide
CID 167566287
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-N,3-dimethylbenzamide
CID 165405202
4-[2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 175526182
4-[(2S)-3-[[(3S)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3R)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 167626677
4-[2-(dimethylamino)-3-[[(3S)-3-phenylbutanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 139568807

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide (CID 167615200) is 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide is CN(C)[C@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.CN(C)[C@H](CNC(=O)C[C@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1cc(F)c(C(N)=O)cc1F.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](CC(C)C)c1ccccc1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(C(N)=O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1ccccc1)C1(C(C)(F)F)CC1)N(C)C.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2F)N(C)C)C2(C(C)(F)F)CC2)cn1.
What is the InChIKey of 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide?
The InChIKey is LQGPBWYVDYRVGX-MIEIODECSA-N. The full InChI is InChI=1S/2C28H37F2N3O2.C27H39N3O2.C26H32F4N4O2.2C24H28ClF4N5O2/c2*1-18-13-21(26(31)35)14-19(2)23(18)15-22(33(4)5)17-32-25(34)16-24(20-9-7-6-8-10-20)28(11-12-28)27(3,29)30;1-18(2)12-22(21-10-8-7-9-11-21)15-26(31)29-17-24(30(5)6)16-25-19(3)13-23(27(28)32)14-20(25)4;1-15-5-6-17(13-32-15)20(26(9-10-26)25(2,29)30)12-21(35)33-14-18(34(3)4)11-16-7-8-19(24(31)36)23(28)22(16)27;2*1-23(28,29)24(4-5-24)17(22-32-10-14(25)11-33-22)9-20(35)31-12-15(34(2)3)6-13-7-19(27)16(21(30)36)8-18(13)26/h2*6-10,13-14,22,24H,11-12,15-17H2,1-5H3,(H2,31,35)(H,32,34);7-11,13-14,18,22,24H,12,15-17H2,1-6H3,(H2,28,32)(H,29,31);5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*7-8,10-11,15,17H,4-6,9,12H2,1-3H3,(H2,30,36)(H,31,35)/t22-,24+;22-,24-;22-,24+;18-,20+;15-,17+;15-,17-/m001000/s1.
What are the key properties of 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide?
4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide has a molecular weight of 2977.36 g/mol, XLogP of 24.79, 66 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-[[(3R)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2,5-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2,3-difluorobenzamide;4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 167615200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).