N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C34H32F3N3O3 — CID 91347044

IUPACN-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCCC(=O)NC(C(=O)NCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H32F3N3O3/c1-2-3-13-30(41)40-31(25-9-5-4-6-10-25)33(43)38-22-23-14-20-27(21-15-23)39-32(42)29-12-8-7-11-28(29)24-16-18-26(19-17-24)34(35,36)37/h4-12,14-21,31H,2-3,13,22H2,1H3,(H,38,43)(H,39,42)(H,40,41)
InChIKeyUZAKUOLKZXXBHS-UHFFFAOYSA-N
MW587.64 g/mol
LogP7.29
Rot. Bonds11

About N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 91347044) has the molecular formula C34H32F3N3O3 and a molecular weight of 587.64 g/mol. Its IUPAC name is N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID91347044
Molecular FormulaC34H32F3N3O3
Molecular Weight587.64 g/mol
Exact Mass587.24
IUPAC NameN-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCCC(=O)NC(C(=O)NCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H32F3N3O3/c1-2-3-13-30(41)40-31(25-9-5-4-6-10-25)33(43)38-22-23-14-20-27(21-15-23)39-32(42)29-12-8-7-11-28(29)24-16-18-26(19-17-24)34(35,36)37/h4-12,14-21,31H,2-3,13,22H2,1H3,(H,38,43)(H,39,42)(H,40,41)
InChIKeyUZAKUOLKZXXBHS-UHFFFAOYSA-N
XLogP7.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.64
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]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

propyl 2-phenyl-2-[3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]propylamino]acetate
CID 58741390
propyl 2-[[2,2-dimethyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]propyl]amino]-2-phenylacetate
CID 58741453
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741392
N-[4-[3-[[2-(ethylamino)-2-oxo-1-phenylethyl]amino]pyrrolidin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741445
N-[4-[[(2-amino-2-phenylacetyl)amino]methyl]-2-chlorophenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86593378
N-[4-[[1-[2-oxo-1-phenyl-2-(propylamino)ethyl]pyrrolidin-3-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741414
ethyl 2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetate
CID 20773908
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 91347044) is N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CCCCC(=O)NC(C(=O)NCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UZAKUOLKZXXBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N3O3/c1-2-3-13-30(41)40-31(25-9-5-4-6-10-25)33(43)38-22-23-14-20-27(21-15-23)39-32(42)29-12-8-7-11-28(29)24-16-18-26(19-17-24)34(35,36)37/h4-12,14-21,31H,2-3,13,22H2,1H3,(H,38,43)(H,39,42)(H,40,41).
What are the key properties of N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 587.64 g/mol, XLogP of 7.29, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91347044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).