4-[benzyl(methyl)amino]-3-nitrobenzamide

C15H15N3O3 — CID 4883612

IUPAC4-[benzyl(methyl)amino]-3-nitrobenzamide
SMILESCN(Cc1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-17(10-11-5-3-2-4-6-11)13-8-7-12(15(16)19)9-14(13)18(20)21/h2-9H,10H2,1H3,(H2,16,19)
InChIKeyPVBLKGFZEIMXAL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.33
Rot. Bonds5

About 4-[benzyl(methyl)amino]-3-nitrobenzamide

4-[benzyl(methyl)amino]-3-nitrobenzamide (PubChem CID 4883612) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-3-nitrobenzamide
PubChem CID4883612
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[benzyl(methyl)amino]-3-nitrobenzamide
SMILESCN(Cc1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-17(10-11-5-3-2-4-6-11)13-8-7-12(15(16)19)9-14(13)18(20)21/h2-9H,10H2,1H3,(H2,16,19)
InChIKeyPVBLKGFZEIMXAL-UHFFFAOYSA-N
XLogP2.33
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
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'}

Analyze 4-[benzyl(methyl)amino]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-difluorophenyl)methyl-methylamino]-3-nitrobenzamide
CID 39985138
N-benzyl-4-fluoro-N-methyl-2-nitroaniline
CID 146302250
4-[methyl(pyridin-4-ylmethyl)amino]-3-nitrobenzoic acid
CID 43420429
methyl 3-[benzyl(methyl)amino]-4-nitrobenzoate
CID 133462537
ethyl 3-(4-carbamoyl-N-methyl-2-nitroanilino)propanoate
CID 62007159
2-(4-carbamoyl-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 62819076
benzyl 4-(dimethylamino)-3-nitrobenzoate
CID 7257310
4-[ethyl-[(3-fluorophenyl)methyl]amino]-3-nitrobenzamide
CID 24632860
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitrobenzamide
CID 4663817
1-[4-[methyl-[(2-methylphenyl)methyl]amino]-3-nitrophenyl]ethanone
CID 9113751
1-[4-[furan-3-ylmethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 47357912

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-3-nitrobenzamide?
The IUPAC name of 4-[benzyl(methyl)amino]-3-nitrobenzamide (CID 4883612) is 4-[benzyl(methyl)amino]-3-nitrobenzamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-3-nitrobenzamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-3-nitrobenzamide is CN(Cc1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[benzyl(methyl)amino]-3-nitrobenzamide?
The InChIKey is PVBLKGFZEIMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17(10-11-5-3-2-4-6-11)13-8-7-12(15(16)19)9-14(13)18(20)21/h2-9H,10H2,1H3,(H2,16,19).
What are the key properties of 4-[benzyl(methyl)amino]-3-nitrobenzamide?
4-[benzyl(methyl)amino]-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-3-nitrobenzamide is sourced from PubChem (CID 4883612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).