4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide

C15H13ClN2O4 — CID 110931048

IUPAC4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c16-11-6-7-12(14(8-11)18(21)22)15(20)17-13(9-19)10-4-2-1-3-5-10/h1-8,13,19H,9H2,(H,17,20)
InChIKeyQRSCWEADMRVZIS-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide

4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide (PubChem CID 110931048) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide
PubChem CID110931048
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c16-11-6-7-12(14(8-11)18(21)22)15(20)17-13(9-19)10-4-2-1-3-5-10/h1-8,13,19H,9H2,(H,17,20)
InChIKeyQRSCWEADMRVZIS-UHFFFAOYSA-N
XLogP2.71
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.71
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

N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide
CID 103945109
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-2-nitrobenzamide
CID 42933537
4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
2-[(4-chloro-2-nitrobenzoyl)amino]butanedioic acid
CID 78910208
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide (CID 110931048) is 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide is O=C(NC(CO)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide?
The InChIKey is QRSCWEADMRVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-11-6-7-12(14(8-11)18(21)22)15(20)17-13(9-19)10-4-2-1-3-5-10/h1-8,13,19H,9H2,(H,17,20).
What are the key properties of 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide?
4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide has a molecular weight of 320.73 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide is sourced from PubChem (CID 110931048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).