N-(2-hydroxy-4-nitrophenyl)benzamide

C13H10N2O4 — CID 3431797

IUPACN-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1
InChIInChI=1S/C13H10N2O4/c16-12-8-10(15(18)19)6-7-11(12)14-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,14,17)
InChIKeyUXCBYNIQABJIOQ-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.55
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)benzamide

N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 3431797) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID3431797
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1
InChIInChI=1S/C13H10N2O4/c16-12-8-10(15(18)19)6-7-11(12)14-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,14,17)
InChIKeyUXCBYNIQABJIOQ-UHFFFAOYSA-N
XLogP2.55
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-(3-hydroxyphenyl)-
CID 836140
2'-Hydroxy-4-nitrobenzanilide
CID 3090023
N-(3-hydroxyphenyl)-2-nitrobenzamide
CID 976723
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 3375236
N-(2-hydroxy-5-nitrophenyl)-3-nitrobenzamide
CID 3090473
2-chloro-N-(2-hydroxyphenyl)-5-nitrobenzamide
CID 4306127
2-hydroxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 11254734
4'-Iodo-3-nitrosalicylanilide
CID 82692
3-[(3-hydroxyphenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539468
N-(2-hydroxy-4,5-dimethylphenyl)-3-nitrobenzamide
CID 3142802
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 5017187
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5763534

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)benzamide (CID 3431797) is N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is UXCBYNIQABJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12-8-10(15(18)19)6-7-11(12)14-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,14,17).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)benzamide?
N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 258.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 3431797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).