4-(3,4-dimethylanilino)-3-nitrobenzamide

C15H15N3O3 — CID 4876320

IUPAC4-(3,4-dimethylanilino)-3-nitrobenzamide
SMILESCc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C
InChIInChI=1S/C15H15N3O3/c1-9-3-5-12(7-10(9)2)17-13-6-4-11(15(16)19)8-14(13)18(20)21/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyOFQCFCFKVQZPPG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.05
Rot. Bonds4

About 4-(3,4-dimethylanilino)-3-nitrobenzamide

4-(3,4-dimethylanilino)-3-nitrobenzamide (PubChem CID 4876320) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)-3-nitrobenzamide
PubChem CID4876320
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(3,4-dimethylanilino)-3-nitrobenzamide
SMILESCc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C
InChIInChI=1S/C15H15N3O3/c1-9-3-5-12(7-10(9)2)17-13-6-4-11(15(16)19)8-14(13)18(20)21/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyOFQCFCFKVQZPPG-UHFFFAOYSA-N
XLogP3.05
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.05
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-aminoanilino)-3-nitrobenzamide
CID 43448379
4-(2-methylanilino)-3-nitrobenzamide
CID 4883898
ethane;4-methyl-3-nitrobenzamide
CID 143806264
4-(2-chloro-4-methylanilino)-3-nitrobenzamide
CID 9251287
4-(3,4-dimethylanilino)-3,5-dinitrobenzoate
CID 7183810
3-(4-bromo-2-nitroanilino)benzamide
CID 107810089
4-(4-bromo-2-nitroanilino)-2-methylbenzoic acid
CID 63499500
4-anilino-3-nitrobenzoic acid
CID 3824366
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-(4-methyl-2-nitroanilino)benzoic acid
CID 43172016
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)-3-nitrobenzamide?
The IUPAC name of 4-(3,4-dimethylanilino)-3-nitrobenzamide (CID 4876320) is 4-(3,4-dimethylanilino)-3-nitrobenzamide.
What is the SMILES notation for 4-(3,4-dimethylanilino)-3-nitrobenzamide?
The canonical SMILES for 4-(3,4-dimethylanilino)-3-nitrobenzamide is Cc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)-3-nitrobenzamide?
The InChIKey is OFQCFCFKVQZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-3-5-12(7-10(9)2)17-13-6-4-11(15(16)19)8-14(13)18(20)21/h3-8,17H,1-2H3,(H2,16,19).
What are the key properties of 4-(3,4-dimethylanilino)-3-nitrobenzamide?
4-(3,4-dimethylanilino)-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylanilino)-3-nitrobenzamide is sourced from PubChem (CID 4876320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).