2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide

C17H17NO3 — CID 99908856

IUPAC2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide
SMILESCC[C@H](C(=O)NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-13(12-8-4-3-5-9-12)16(20)18-17(21)14-10-6-7-11-15(14)19/h3-11,13,19H,2H2,1H3,(H,18,20,21)/t13-/m0/s1
InChIKeyOJSPCTJLKXKPGT-ZDUSSCGKSA-N
MW283.33 g/mol
LogP2.84
Rot. Bonds4

About 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide

2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide (PubChem CID 99908856) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide
PubChem CID99908856
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide
SMILESCC[C@H](C(=O)NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-13(12-8-4-3-5-9-12)16(20)18-17(21)14-10-6-7-11-15(14)19/h3-11,13,19H,2H2,1H3,(H,18,20,21)/t13-/m0/s1
InChIKeyOJSPCTJLKXKPGT-ZDUSSCGKSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
(2-phenylbutanoylamino)urea
CID 63946462
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
ethane;2-hydroxy-N-[(2S)-2-[(2-hydroxybenzoyl)amino]-1,2-diphenylethyl]benzamide
CID 90876607
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide (CID 99908856) is 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide is CC[C@H](C(=O)NC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide?
The InChIKey is OJSPCTJLKXKPGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-13(12-8-4-3-5-9-12)16(20)18-17(21)14-10-6-7-11-15(14)19/h3-11,13,19H,2H2,1H3,(H,18,20,21)/t13-/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide?
2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S)-2-phenylbutanoyl]benzamide is sourced from PubChem (CID 99908856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).