N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide

C14H12N2O5 — CID 7478754

IUPACN-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O
InChIInChI=1S/C14H12N2O5/c1-21-13-7-4-10(8-12(13)17)15-14(18)9-2-5-11(6-3-9)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyJSJHXTVTBXJNLL-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.56
Rot. Bonds4

About N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide

N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide (PubChem CID 7478754) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
PubChem CID7478754
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O
InChIInChI=1S/C14H12N2O5/c1-21-13-7-4-10(8-12(13)17)15-14(18)9-2-5-11(6-3-9)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyJSJHXTVTBXJNLL-UHFFFAOYSA-N
XLogP2.56
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
CID 4049338
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
3-fluoro-4-methoxy-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 30996982
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide (CID 7478754) is N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide?
The InChIKey is JSJHXTVTBXJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-13-7-4-10(8-12(13)17)15-14(18)9-2-5-11(6-3-9)16(19)20/h2-8,17H,1H3,(H,15,18).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide?
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide has a molecular weight of 288.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 7478754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).