3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide

C127H154Cl5F15N20O10 — CID 167585676

IUPAC3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide
SMILESCN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/2C26H32ClF3N4O2.3C25H30ClF3N4O2/c2*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;1-24(28,29)25(8-9-25)19(15-6-10-31-11-7-15)13-20(34)32-14-17(33(2)3)12-16-4-5-18(23(30)35)22(27)21(16)26;2*1-24(28,29)25(8-9-25)19(16-5-4-10-31-13-16)12-20(34)32-14-17(33(2)3)11-15-6-7-18(23(30)35)22(27)21(15)26/h2*5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);4-7,10-11,17,19H,8-9,12-14H2,1-3H3,(H2,30,35)(H,32,34);2*4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H2,30,35)(H,32,34)/t18-,20+;18-,20-;17-,19?;17-,19+;17-,19-/m00000/s1
InChIKeyHTQBGDSTZNGSND-QJSSIKAWSA-N
MW2582.99 g/mol
LogP21.47
Rot. Bonds55

About 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide

3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide (PubChem CID 167585676) has the molecular formula C127H154Cl5F15N20O10 and a molecular weight of 2582.99 g/mol. Its IUPAC name is 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide
PubChem CID167585676
Molecular FormulaC127H154Cl5F15N20O10
Molecular Weight2582.99 g/mol
Exact Mass2579.04
IUPAC Name3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide
SMILESCN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/2C26H32ClF3N4O2.3C25H30ClF3N4O2/c2*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;1-24(28,29)25(8-9-25)19(15-6-10-31-11-7-15)13-20(34)32-14-17(33(2)3)12-16-4-5-18(23(30)35)22(27)21(16)26;2*1-24(28,29)25(8-9-25)19(16-5-4-10-31-13-16)12-20(34)32-14-17(33(2)3)11-15-6-7-18(23(30)35)22(27)21(15)26/h2*5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);4-7,10-11,17,19H,8-9,12-14H2,1-3H3,(H2,30,35)(H,32,34);2*4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H2,30,35)(H,32,34)/t18-,20+;18-,20-;17-,19?;17-,19+;17-,19-/m00000/s1
InChIKeyHTQBGDSTZNGSND-QJSSIKAWSA-N
XLogP21.47
TPSA441.60 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds55
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002582.99
LogP ≤ 521.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-4-[(2S)-2-(dimethylamino)-3-[(3S)-3-(6-methylpyridin-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamido]propyl]-2-fluorobenzamide
CID 166025588
3-chloro-4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluorobenzamide
CID 166025513
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;bis(4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide)
CID 123994544
N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 157366799
3-chloro-N-(6-chloro-3-pyridinyl)benzamide;6-chloro-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide;N-(6-chloro-3-pyridinyl)-3,4-difluorobenzamide;N-(6-chloro-3-pyridinyl)-4-phenylbenzamide;N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzamide;3,4-dichloro-N-(6-chloro-3-pyridinyl)benzamide;3,4-dichloro-N-pyridin-3-ylbenzamide;3,4-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 157641087
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 157789497
[4-(2-Aminoethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-aminoethyl)piperazin-1-yl]-phenylmethanone;2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]ethanamine;2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanamine;methane;2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethanamine;2-[4-(quinolin-4-ylmethyl)piperazin-1-yl]ethanamine;2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanamine;2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanamine
CID 157940846
[3-Chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 157948507
(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide
CID 158126351
CID 158395466
CID 158395466
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 158597924
[3-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-4-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylcyclohexyl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylcyclohexyl)methanone
CID 158721479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide?
The IUPAC name of 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide (CID 167585676) is 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide?
The canonical SMILES for 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide is CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)c(F)c1Cl.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.
What is the InChIKey of 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide?
The InChIKey is HTQBGDSTZNGSND-QJSSIKAWSA-N. The full InChI is InChI=1S/2C26H32ClF3N4O2.3C25H30ClF3N4O2/c2*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;1-24(28,29)25(8-9-25)19(15-6-10-31-11-7-15)13-20(34)32-14-17(33(2)3)12-16-4-5-18(23(30)35)22(27)21(16)26;2*1-24(28,29)25(8-9-25)19(16-5-4-10-31-13-16)12-20(34)32-14-17(33(2)3)11-15-6-7-18(23(30)35)22(27)21(15)26/h2*5-8,13,18,20H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);4-7,10-11,17,19H,8-9,12-14H2,1-3H3,(H2,30,35)(H,32,34);2*4-7,10,13,17,19H,8-9,11-12,14H2,1-3H3,(H2,30,35)(H,32,34)/t18-,20+;18-,20-;17-,19?;17-,19+;17-,19-/m00000/s1.
What are the key properties of 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide?
3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide has a molecular weight of 2582.99 g/mol, XLogP of 21.47, 55 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide is sourced from PubChem (CID 167585676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).