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

C87H77F5N10O6 — CID 123835448

IUPACN-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
SMILESC[C@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)c1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1cccc(C(F)(F)F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C31H30N2O2.C29H25F3N4O2.C27H22F2N4O2/c1-23(25-14-6-3-7-15-25)20-30(34)32-22-26-16-8-9-17-27(26)28-18-10-11-19-29(28)31(35)33-21-24-12-4-2-5-13-24;30-29(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;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/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35);1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15H,16-17H2,(H,31,34)(H2,32,33,35)/t23-;;/m1../s1
InChIKeyYENHKGGKBCFONN-MQWQBNKOSA-N
MW1453.63 g/mol
LogP17.43
Rot. Bonds24

About 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

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 (PubChem CID 123835448) has the molecular formula C87H77F5N10O6 and a molecular weight of 1453.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID123835448
Molecular FormulaC87H77F5N10O6
Molecular Weight1453.63 g/mol
Exact Mass1452.59
IUPAC NameN-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
SMILESC[C@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)c1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1cccc(C(F)(F)F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C31H30N2O2.C29H25F3N4O2.C27H22F2N4O2/c1-23(25-14-6-3-7-15-25)20-30(34)32-22-26-16-8-9-17-27(26)28-18-10-11-19-29(28)31(35)33-21-24-12-4-2-5-13-24;30-29(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;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/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35);1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15H,16-17H2,(H,31,34)(H2,32,33,35)/t23-;;/m1../s1
InChIKeyYENHKGGKBCFONN-MQWQBNKOSA-N
XLogP17.43
TPSA224.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.63
LogP ≤ 517.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj-31020028
CID 25134625
N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151875
2''-[(3-Phenyl-butyrylamino)-methyl]-biphenyl-2-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
CID 11059860
N-methyl-7-(2-(3-(4-methyl-3-(trifluoromethyl)phenyl)ureido)ethyl)isoquinoline-3-carboxamide
CID 11224163
N-methyl-7-(2-(3-(3-(trifluoromethyl)phenyl)ureido)ethyl)isoquinoline-3-carboxamide
CID 11407374
7-(2-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11407870
7-(2-(3-(4-fluoro-3-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11419121
(R)-N-(4-(4-(2-(diethylamino)-2-oxo-1-phenylethyl)piperazin-1-yl)-3-fluorophenyl)-2-(pyridin-3-yl)benzamide
CID 25151876
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151877
5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180067
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
n-(4-((1r,3s,5s)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-5-fluoro-6-(2,3,6-trifluorophenyl)picolinamide
CID 46178694

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)c1ccccc1.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 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?
The InChIKey is YENHKGGKBCFONN-MQWQBNKOSA-N. The full InChI is InChI=1S/C31H30N2O2.C29H25F3N4O2.C27H22F2N4O2/c1-23(25-14-6-3-7-15-25)20-30(34)32-22-26-16-8-9-17-27(26)28-18-10-11-19-29(28)31(35)33-21-24-12-4-2-5-13-24;30-29(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;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/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35);1-14,16,18H,15,17,19H2,(H,34,37)(H2,35,36,38);1-15H,16-17H2,(H,31,34)(H2,32,33,35)/t23-;;/m1../s1.
What are the key properties of 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?
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 has a molecular weight of 1453.63 g/mol, XLogP of 17.43, 24 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123835448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).