N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

C23H18ClF3N2O2 — CID 42904742

IUPACN-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H18ClF3N2O2/c24-19-12-11-17(14-18(19)23(25,26)27)28-22(31)20(13-15-7-3-1-4-8-15)29-21(30)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,28,31)(H,29,30)
InChIKeyAJDVSJLANYUENZ-UHFFFAOYSA-N
MW446.86 g/mol
LogP5.34
Rot. Bonds6

About N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 42904742) has the molecular formula C23H18ClF3N2O2 and a molecular weight of 446.86 g/mol. Its IUPAC name is N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID42904742
Molecular FormulaC23H18ClF3N2O2
Molecular Weight446.86 g/mol
Exact Mass446.10
IUPAC NameN-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H18ClF3N2O2/c24-19-12-11-17(14-18(19)23(25,26)27)28-22(31)20(13-15-7-3-1-4-8-15)29-21(30)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,28,31)(H,29,30)
InChIKeyAJDVSJLANYUENZ-UHFFFAOYSA-N
XLogP5.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860854
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 99945760
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871386
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
(2R,3R)-2,3-dibenzoyloxy-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 51037777
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55573094
tert-butyl N-[5-[(2-benzamido-3-phenylpropanoyl)amino]-2-fluorophenyl]carbamate
CID 55967903
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 124715870

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 42904742) is N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is AJDVSJLANYUENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O2/c24-19-12-11-17(14-18(19)23(25,26)27)28-22(31)20(13-15-7-3-1-4-8-15)29-21(30)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,28,31)(H,29,30).
What are the key properties of N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 446.86 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 42904742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).