2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide

C117H113ClF8N16O8 — CID 158749845

IUPAC2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
SMILESC.C.C.C.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1cccc(C(F)(F)F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/2C29H25F3N4O2.C28H25ClN4O2.C27H22F2N4O2.4CH4/c30-29(31,32)21-9-7-11-23(18-21)36-28(38)35-19-20-8-1-2-12-24(20)25-13-3-4-14-26(25)27(37)34-17-15-22-10-5-6-16-33-22;30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;28-19-12-13-25(24(29)15-19)33-27(35)32-16-18-7-1-2-9-21(18)22-10-3-4-11-23(22)26(34)31-17-20-8-5-6-14-30-20;;;;/h1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-15H,16-17H2,(H,31,34)(H2,32,33,35);4*1H4
InChIKeyINIKMNBUSINMQI-UHFFFAOYSA-N
MW2058.73 g/mol
LogP25.64
Rot. Bonds31

About 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide

2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide (PubChem CID 158749845) has the molecular formula C117H113ClF8N16O8 and a molecular weight of 2058.73 g/mol. Its IUPAC name is 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
PubChem CID158749845
Molecular FormulaC117H113ClF8N16O8
Molecular Weight2058.73 g/mol
Exact Mass2056.85
IUPAC Name2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
SMILESC.C.C.C.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1cccc(C(F)(F)F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/2C29H25F3N4O2.C28H25ClN4O2.C27H22F2N4O2.4CH4/c30-29(31,32)21-9-7-11-23(18-21)36-28(38)35-19-20-8-1-2-12-24(20)25-13-3-4-14-26(25)27(37)34-17-15-22-10-5-6-16-33-22;30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;28-19-12-13-25(24(29)15-19)33-27(35)32-16-18-7-1-2-9-21(18)22-10-3-4-11-23(22)26(34)31-17-20-8-5-6-14-30-20;;;;/h1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-15H,16-17H2,(H,31,34)(H2,32,33,35);4*1H4
InChIKeyINIKMNBUSINMQI-UHFFFAOYSA-N
XLogP25.64
TPSA332.48 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.73
LogP ≤ 525.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide with MolForge

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Related Compounds

5-[4-[3-[4-Chloro-5-(trifluoromethyl)phenyl]ureido]phenyl]-N-methylpyridine-2-carboxamide
CID 122180063
3-[[3-(6-aminopyrimidin-4-yl)-5-[2-[[3-(6-aminopyrimidin-4-yl)-2-pyridinyl]amino]-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridinyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 89337351
1-[5-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-3-pyridinyl]-3-cyclohexylurea;N-[5-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-3-pyridinyl]-4-fluorobenzamide;1-[5-(6-chloro-1-oxo-3,4-dihydroisoquinolin-2-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89602415
N-[(1R)-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-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-benzyl-2-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide
CID 123835448
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-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
CID 157188790
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 157362893
4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 157388729
CID 157399687
CID 157399687
4-[5-(2-amino-2-oxoethyl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157556660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The IUPAC name of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide (CID 158749845) is 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The canonical SMILES for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide is C.C.C.C.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(C(F)(F)F)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(Cl)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1cccc(C(F)(F)F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
The InChIKey is INIKMNBUSINMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25F3N4O2.C28H25ClN4O2.C27H22F2N4O2.4CH4/c30-29(31,32)21-9-7-11-23(18-21)36-28(38)35-19-20-8-1-2-12-24(20)25-13-3-4-14-26(25)27(37)34-17-15-22-10-5-6-16-33-22;30-29(31,32)21-12-14-23(15-13-21)36-28(38)35-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(37)34-18-16-22-8-5-6-17-33-22;29-21-12-14-23(15-13-21)33-28(35)32-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(34)31-18-16-22-8-5-6-17-30-22;28-19-12-13-25(24(29)15-19)33-27(35)32-16-18-7-1-2-9-21(18)22-10-3-4-11-23(22)26(34)31-17-20-8-5-6-14-30-20;;;;/h1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,34,37)(H2,35,36,38);1-15,17H,16,18-19H2,(H,31,34)(H2,32,33,35);1-15H,16-17H2,(H,31,34)(H2,32,33,35);4*1H4.
What are the key properties of 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide?
2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide has a molecular weight of 2058.73 g/mol, XLogP of 25.64, 31 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;methane;N-(2-pyridin-2-ylethyl)-2-[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide;N-(2-pyridin-2-ylethyl)-2-[2-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 158749845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).