N-(2,3-dihydroxy-1-phenylpropyl)benzamide

C16H17NO3 — CID 14650575

IUPACN-(2,3-dihydroxy-1-phenylpropyl)benzamide
SMILESO=C(NC(c1ccccc1)C(O)CO)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2,(H,17,20)
InChIKeyOCRUDDLKDFDNGT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds5

About N-(2,3-dihydroxy-1-phenylpropyl)benzamide

N-(2,3-dihydroxy-1-phenylpropyl)benzamide (PubChem CID 14650575) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dihydroxy-1-phenylpropyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-1-phenylpropyl)benzamide
PubChem CID14650575
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(2,3-dihydroxy-1-phenylpropyl)benzamide
SMILESO=C(NC(c1ccccc1)C(O)CO)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2,(H,17,20)
InChIKeyOCRUDDLKDFDNGT-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-1-phenylpropyl)benzamide?
The IUPAC name of N-(2,3-dihydroxy-1-phenylpropyl)benzamide (CID 14650575) is N-(2,3-dihydroxy-1-phenylpropyl)benzamide.
What is the SMILES notation for N-(2,3-dihydroxy-1-phenylpropyl)benzamide?
The canonical SMILES for N-(2,3-dihydroxy-1-phenylpropyl)benzamide is O=C(NC(c1ccccc1)C(O)CO)c1ccccc1.
What is the InChIKey of N-(2,3-dihydroxy-1-phenylpropyl)benzamide?
The InChIKey is OCRUDDLKDFDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2,(H,17,20).
What are the key properties of N-(2,3-dihydroxy-1-phenylpropyl)benzamide?
N-(2,3-dihydroxy-1-phenylpropyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-1-phenylpropyl)benzamide is sourced from PubChem (CID 14650575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).