N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide

C23H21NO2 — CID 134947552

IUPACN-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide
SMILESCCC(C(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-19(22(25)17-11-5-3-6-12-17)20-15-9-10-16-21(20)24-23(26)18-13-7-4-8-14-18/h3-16,19H,2H2,1H3,(H,24,26)
InChIKeyZELXDTCOVXLLOT-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.32
Rot. Bonds6

About N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide

N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide (PubChem CID 134947552) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide
PubChem CID134947552
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide
SMILESCCC(C(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-2-19(22(25)17-11-5-3-6-12-17)20-15-9-10-16-21(20)24-23(26)18-13-7-4-8-14-18/h3-16,19H,2H2,1H3,(H,24,26)
InChIKeyZELXDTCOVXLLOT-UHFFFAOYSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
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N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
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N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
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2-[2-[(2-methylbenzoyl)amino]phenyl]butanoyl chloride
CID 163807049
2-(2-hydrazinylphenyl)butanoic acid
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N-[2-(methylamino)phenyl]benzamide
CID 101444547
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
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ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide (CID 134947552) is N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide is CCC(C(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide?
The InChIKey is ZELXDTCOVXLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-19(22(25)17-11-5-3-6-12-17)20-15-9-10-16-21(20)24-23(26)18-13-7-4-8-14-18/h3-16,19H,2H2,1H3,(H,24,26).
What are the key properties of N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide?
N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide is sourced from PubChem (CID 134947552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).