4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide

C23H19NO3 — CID 20666681

IUPAC4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-16-21(15-17-7-3-1-4-8-17)24-23(27)20-13-11-19(12-14-20)22(26)18-9-5-2-6-10-18/h1-14,16,21H,15H2,(H,24,27)/t21-/m0/s1
InChIKeyBBXNRPPKLGQVDJ-NRFANRHFSA-N
MW357.41 g/mol
LogP3.46
Rot. Bonds7

About 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide

4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 20666681) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID20666681
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-16-21(15-17-7-3-1-4-8-17)24-23(27)20-13-11-19(12-14-20)22(26)18-9-5-2-6-10-18/h1-14,16,21H,15H2,(H,24,27)/t21-/m0/s1
InChIKeyBBXNRPPKLGQVDJ-NRFANRHFSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
(E)-but-2-enedioic acid;N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide
CID 159165847
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354336
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776
N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 20666681) is 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide is O=C[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is BBXNRPPKLGQVDJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19NO3/c25-16-21(15-17-7-3-1-4-8-17)24-23(27)20-13-11-19(12-14-20)22(26)18-9-5-2-6-10-18/h1-14,16,21H,15H2,(H,24,27)/t21-/m0/s1.
What are the key properties of 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide?
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 20666681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).