N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C36H28F3N3O3 — CID 70145257

IUPACN-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1
InChIInChI=1S/C36H28F3N3O3/c1-23-9-13-26(14-10-23)34(44)41-29-19-11-24(12-20-29)22-40-33(43)27-5-4-6-30(21-27)42-35(45)32-8-3-2-7-31(32)25-15-17-28(18-16-25)36(37,38)39/h2-21H,22H2,1H3,(H,40,43)(H,41,44)(H,42,45)
InChIKeyRCFFLYDJRGPUSG-UHFFFAOYSA-N
MW607.63 g/mol
LogP8.12
Rot. Bonds8

About N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 70145257) has the molecular formula C36H28F3N3O3 and a molecular weight of 607.63 g/mol. Its IUPAC name is N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID70145257
Molecular FormulaC36H28F3N3O3
Molecular Weight607.63 g/mol
Exact Mass607.21
IUPAC NameN-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1
InChIInChI=1S/C36H28F3N3O3/c1-23-9-13-26(14-10-23)34(44)41-29-19-11-24(12-20-29)22-40-33(43)27-5-4-6-30(21-27)42-35(45)32-8-3-2-7-31(32)25-15-17-28(18-16-25)36(37,38)39/h2-21H,22H2,1H3,(H,40,43)(H,41,44)(H,42,45)
InChIKeyRCFFLYDJRGPUSG-UHFFFAOYSA-N
XLogP8.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.63
LogP ≤ 58.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)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

2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 12051304
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144706
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70142839
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
N-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 86591518

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 70145257) is N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1.
What is the InChIKey of N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RCFFLYDJRGPUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F3N3O3/c1-23-9-13-26(14-10-23)34(44)41-29-19-11-24(12-20-29)22-40-33(43)27-5-4-6-30(21-27)42-35(45)32-8-3-2-7-31(32)25-15-17-28(18-16-25)36(37,38)39/h2-21H,22H2,1H3,(H,40,43)(H,41,44)(H,42,45).
What are the key properties of N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 607.63 g/mol, XLogP of 8.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 70145257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).