N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide

C106H110ClF5N8O9 — CID 167558499

IUPACN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F
InChIInChI=1S/C27H29FN2O3.C27H29FN2O2.C26H26ClFN2O2.C26H26F2N2O2/c1-4-17-30(26(32)5-2)24-14-12-22(18-23(24)28)19-8-10-20(11-9-19)25(31)15-13-21-7-6-16-29-27(21)33-3;1-4-16-30(27(32)5-2)25-14-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)15-8-20-7-6-19(3)29-18-20;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)28)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(27)29-17-18;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-12,14,16,18H,4-5,13,15,17H2,1-3H3;6-7,9-14,17-18H,4-5,8,15-16H2,1-3H3;2*6-12,14,16-17H,3-5,13,15H2,1-2H3
InChIKeyDIDIDXDFKYJDBY-UHFFFAOYSA-N
MW1770.54 g/mol
LogP24.53
Rot. Bonds37

About N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide

N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide (PubChem CID 167558499) has the molecular formula C106H110ClF5N8O9 and a molecular weight of 1770.54 g/mol. Its IUPAC name is N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
PubChem CID167558499
Molecular FormulaC106H110ClF5N8O9
Molecular Weight1770.54 g/mol
Exact Mass1768.80
IUPAC NameN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F
InChIInChI=1S/C27H29FN2O3.C27H29FN2O2.C26H26ClFN2O2.C26H26F2N2O2/c1-4-17-30(26(32)5-2)24-14-12-22(18-23(24)28)19-8-10-20(11-9-19)25(31)15-13-21-7-6-16-29-27(21)33-3;1-4-16-30(27(32)5-2)25-14-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)15-8-20-7-6-19(3)29-18-20;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)28)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(27)29-17-18;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-12,14,16,18H,4-5,13,15,17H2,1-3H3;6-7,9-14,17-18H,4-5,8,15-16H2,1-3H3;2*6-12,14,16-17H,3-5,13,15H2,1-2H3
InChIKeyDIDIDXDFKYJDBY-UHFFFAOYSA-N
XLogP24.53
TPSA210.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.54
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide with MolForge

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Related Compounds

2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(pyridin-2-ylmethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
CID 158200564
(3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]pentan-1-one;(3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]pentan-1-one
CID 159109826
[6-[2,4-Bis(trifluoromethyl)phenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-dichlorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,3-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2-fluoro-3-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[6-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]benzonitrile
CID 159612320
bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)
CID 162179986
1-(3-Chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 162237562
3-[[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]methyl]-2-methyl-N-propylbenzamide;3-[[4-[(3-methoxyphenyl)methyl]-2-pyridinyl]methyl]-2-methyl-N-propylbenzamide;2-methoxy-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-methyl-3-[[4-[(4-methylphenyl)methyl]-2-pyridinyl]methyl]-N-propylbenzamide;2-methyl-3-[[4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]-N-propylbenzamide;2-methyl-3-[[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]-N-propylbenzamide;2-methyl-N-propyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide
CID 164963467
N-[(2R)-3-[4-[[(2S)-2-[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-methylphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(5-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 167554959
(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
CID 167699893
2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 162223594
N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167540497
N-[4-[2-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167559562
N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167598268

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The IUPAC name of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide (CID 167558499) is N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The canonical SMILES for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide is CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F.
What is the InChIKey of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The InChIKey is DIDIDXDFKYJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3.C27H29FN2O2.C26H26ClFN2O2.C26H26F2N2O2/c1-4-17-30(26(32)5-2)24-14-12-22(18-23(24)28)19-8-10-20(11-9-19)25(31)15-13-21-7-6-16-29-27(21)33-3;1-4-16-30(27(32)5-2)25-14-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)15-8-20-7-6-19(3)29-18-20;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)28)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(27)29-17-18;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-12,14,16,18H,4-5,13,15,17H2,1-3H3;6-7,9-14,17-18H,4-5,8,15-16H2,1-3H3;2*6-12,14,16-17H,3-5,13,15H2,1-2H3.
What are the key properties of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide has a molecular weight of 1770.54 g/mol, XLogP of 24.53, 37 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide is sourced from PubChem (CID 167558499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).