3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H16N2O3 — CID 58736733

IUPAC3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O
InChIInChI=1S/C15H16N2O3/c16-12-8-4-7-11(14(12)19)15(20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,18-19H,9,16H2,(H,17,20)/t13-/m1/s1
InChIKeyMOIGBKBBQYZPDO-CYBMUJFWSA-N
MW272.30 g/mol
LogP1.44
Rot. Bonds4

About 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 58736733) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID58736733
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O
InChIInChI=1S/C15H16N2O3/c16-12-8-4-7-11(14(12)19)15(20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,18-19H,9,16H2,(H,17,20)/t13-/m1/s1
InChIKeyMOIGBKBBQYZPDO-CYBMUJFWSA-N
XLogP1.44
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861769
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 58736733) is 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is MOIGBKBBQYZPDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-12-8-4-7-11(14(12)19)15(20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,18-19H,9,16H2,(H,17,20)/t13-/m1/s1.
What are the key properties of 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 58736733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).