N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide

C15H14N2O4 — CID 103945109

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c18-10-13(11-6-2-1-3-7-11)16-15(19)12-8-4-5-9-14(12)17(20)21/h1-9,13,18H,10H2,(H,16,19)/t13-/m1/s1
InChIKeyXYQBMBLYLSFYOF-CYBMUJFWSA-N
MW286.29 g/mol
LogP2.06
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide (PubChem CID 103945109) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide
PubChem CID103945109
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c18-10-13(11-6-2-1-3-7-11)16-15(19)12-8-4-5-9-14(12)17(20)21/h1-9,13,18H,10H2,(H,16,19)/t13-/m1/s1
InChIKeyXYQBMBLYLSFYOF-CYBMUJFWSA-N
XLogP2.06
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide
CID 110931048
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-3-nitrobenzamide
CID 110001808
2-(2-nitroanilino)-2-phenylethanol
CID 24950496
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methyl-3-nitrophenyl)acetamide
CID 99701429
(3R)-3-[(2-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7298139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide (CID 103945109) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide is O=C(N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide?
The InChIKey is XYQBMBLYLSFYOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-10-13(11-6-2-1-3-7-11)16-15(19)12-8-4-5-9-14(12)17(20)21/h1-9,13,18H,10H2,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide is sourced from PubChem (CID 103945109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).