3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide

C35H34F3N3O3 — CID 91409257

IUPAC3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
SMILESCCC(CC)NC(=O)C(NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccccc1
InChIInChI=1S/C35H34F3N3O3/c1-4-27(5-2)39-34(44)31(24-11-7-6-8-12-24)41-32(42)25-17-20-30(22(3)21-25)40-33(43)29-14-10-9-13-28(29)23-15-18-26(19-16-23)35(36,37)38/h6-21,27,31H,4-5H2,1-3H3,(H,39,44)(H,40,43)(H,41,42)
InChIKeyHQJLOSYCOFLLJW-UHFFFAOYSA-N
MW601.67 g/mol
LogP7.71
Rot. Bonds10

About 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide

3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide (PubChem CID 91409257) has the molecular formula C35H34F3N3O3 and a molecular weight of 601.67 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
PubChem CID91409257
Molecular FormulaC35H34F3N3O3
Molecular Weight601.67 g/mol
Exact Mass601.26
IUPAC Name3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
SMILESCCC(CC)NC(=O)C(NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccccc1
InChIInChI=1S/C35H34F3N3O3/c1-4-27(5-2)39-34(44)31(24-11-7-6-8-12-24)41-32(42)25-17-20-30(22(3)21-25)40-33(43)29-14-10-9-13-28(29)23-15-18-26(19-16-23)35(36,37)38/h6-21,27,31H,4-5H2,1-3H3,(H,39,44)(H,40,43)(H,41,42)
InChIKeyHQJLOSYCOFLLJW-UHFFFAOYSA-N
XLogP7.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.67
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide with MolForge

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Related Compounds

N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
methyl (2S)-2-phenyl-2-[[2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carbonyl]amino]acetate
CID 59710991
N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
CID 75022809
N-[2-[butyl(ethyl)amino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 154281432
methyl 2-[4-[3-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 20773935
N-[(1S)-2-methoxy-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 160909901
3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 71685503
N-[(1S)-2-(dibutylamino)-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 157208298
N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91347044
N-[4-[[(2-amino-2-phenylacetyl)amino]methyl]-2-chlorophenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86593378
N-[(1R)-1-(4-methylphenyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 59711004
2-[3-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 23130330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide (CID 91409257) is 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide is CCC(CC)NC(=O)C(NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide?
The InChIKey is HQJLOSYCOFLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N3O3/c1-4-27(5-2)39-34(44)31(24-11-7-6-8-12-24)41-32(42)25-17-20-30(22(3)21-25)40-33(43)29-14-10-9-13-28(29)23-15-18-26(19-16-23)35(36,37)38/h6-21,27,31H,4-5H2,1-3H3,(H,39,44)(H,40,43)(H,41,42).
What are the key properties of 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide?
3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide has a molecular weight of 601.67 g/mol, XLogP of 7.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide is sourced from PubChem (CID 91409257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).