4-anilino-N-methyl-3-nitrobenzamide

C14H13N3O3 — CID 47122651

IUPAC4-anilino-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,18)
InChIKeyFKZSASOXMJIBDA-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.70
Rot. Bonds4

About 4-anilino-N-methyl-3-nitrobenzamide

4-anilino-N-methyl-3-nitrobenzamide (PubChem CID 47122651) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-anilino-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-anilino-N-methyl-3-nitrobenzamide
PubChem CID47122651
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-anilino-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,18)
InChIKeyFKZSASOXMJIBDA-UHFFFAOYSA-N
XLogP2.70
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.70
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-anilino-3-nitrobenzoic acid
CID 3824366
4-anilino-N-ethoxy-3-nitrobenzamide
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CID 78906795
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
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4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
N-methyl-3-nitro-4-[3-(3,3,3-trifluoropropyl)anilino]benzamide
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4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
methyl 4-[(4-anilino-3-nitrobenzoyl)amino]butanoate
CID 60592651
4-anilino-3-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 51251930
(4-anilino-3-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562685
4-anilino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
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CID 27649998

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-anilino-N-methyl-3-nitrobenzamide (CID 47122651) is 4-anilino-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-anilino-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-anilino-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-N-methyl-3-nitrobenzamide?
The InChIKey is FKZSASOXMJIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-2-4-6-11/h2-9,16H,1H3,(H,15,18).
What are the key properties of 4-anilino-N-methyl-3-nitrobenzamide?
4-anilino-N-methyl-3-nitrobenzamide has a molecular weight of 271.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 47122651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).