4-(2-methylanilino)-3-nitrobenzamide

C14H13N3O3 — CID 4883898

IUPAC4-(2-methylanilino)-3-nitrobenzamide
SMILESCc1ccccc1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-9-4-2-3-5-11(9)16-12-7-6-10(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18)
InChIKeyPDOISZICVTUEPF-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.75
Rot. Bonds4

About 4-(2-methylanilino)-3-nitrobenzamide

4-(2-methylanilino)-3-nitrobenzamide (PubChem CID 4883898) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(2-methylanilino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-methylanilino)-3-nitrobenzamide
PubChem CID4883898
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(2-methylanilino)-3-nitrobenzamide
SMILESCc1ccccc1Nc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-9-4-2-3-5-11(9)16-12-7-6-10(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18)
InChIKeyPDOISZICVTUEPF-UHFFFAOYSA-N
XLogP2.75
TPSA98.26 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 ≤ 52.75
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-(3,4-dimethylanilino)-3-nitrobenzamide
CID 4876320
4-(2-chloro-4-methylanilino)-3-nitrobenzamide
CID 9251287
3-(2-methylanilino)-4-nitrobenzoic acid
CID 82784154
4-(3-aminoanilino)-3-nitrobenzamide
CID 43448379
4-anilino-3-nitrobenzoic acid
CID 3824366
4-[2-(2-methylphenoxy)ethylamino]-3-nitrobenzamide
CID 47061475
4-(2-methylanilino)-3,5-dinitrobenzohydrazide
CID 132593736
ethane;4-methyl-3-nitrobenzamide
CID 143806264
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
N-(2-methylphenyl)-4-[2-nitro-4-(trifluoromethyl)anilino]benzamide
CID 143133205
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-3-nitrobenzamide?
The IUPAC name of 4-(2-methylanilino)-3-nitrobenzamide (CID 4883898) is 4-(2-methylanilino)-3-nitrobenzamide.
What is the SMILES notation for 4-(2-methylanilino)-3-nitrobenzamide?
The canonical SMILES for 4-(2-methylanilino)-3-nitrobenzamide is Cc1ccccc1Nc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methylanilino)-3-nitrobenzamide?
The InChIKey is PDOISZICVTUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-4-2-3-5-11(9)16-12-7-6-10(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18).
What are the key properties of 4-(2-methylanilino)-3-nitrobenzamide?
4-(2-methylanilino)-3-nitrobenzamide has a molecular weight of 271.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-3-nitrobenzamide is sourced from PubChem (CID 4883898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).