3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide

C13H9ClN2O4 — CID 57352159

IUPAC3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C13H9ClN2O4/c14-11-7-9(16(19)20)6-10(12(11)17)13(18)15-8-4-2-1-3-5-8/h1-7,17H,(H,15,18)
InChIKeyXAWBDNLAFSUZNU-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide

3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide (PubChem CID 57352159) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
PubChem CID57352159
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C13H9ClN2O4/c14-11-7-9(16(19)20)6-10(12(11)17)13(18)15-8-4-2-1-3-5-8/h1-7,17H,(H,15,18)
InChIKeyXAWBDNLAFSUZNU-UHFFFAOYSA-N
XLogP3.21
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.21
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

2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-chloro-6-[(3-methylphenyl)carbamoyl]-4-nitrophenolate
CID 7038381
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide
CID 173461837
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide?
The IUPAC name of 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide (CID 57352159) is 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide?
The canonical SMILES for 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide?
The InChIKey is XAWBDNLAFSUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-11-7-9(16(19)20)6-10(12(11)17)13(18)15-8-4-2-1-3-5-8/h1-7,17H,(H,15,18).
What are the key properties of 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide?
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide has a molecular weight of 292.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide is sourced from PubChem (CID 57352159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).