4-(benzylamino)-N-methyl-3-nitrobenzamide

C15H15N3O3 — CID 78906795

IUPAC4-(benzylamino)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-16-15(19)12-7-8-13(14(9-12)18(20)21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19)
InChIKeySSWOIWIUILQVPQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.57
Rot. Bonds5

About 4-(benzylamino)-N-methyl-3-nitrobenzamide

4-(benzylamino)-N-methyl-3-nitrobenzamide (PubChem CID 78906795) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(benzylamino)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(benzylamino)-N-methyl-3-nitrobenzamide
PubChem CID78906795
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(benzylamino)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-16-15(19)12-7-8-13(14(9-12)18(20)21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19)
InChIKeySSWOIWIUILQVPQ-UHFFFAOYSA-N
XLogP2.57
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.57
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'}

Analyze 4-(benzylamino)-N-methyl-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

N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
4-(benzylamino)-N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 110887436
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-(benzylamino)-N-(3-fluorophenyl)-3-nitrobenzamide
CID 9412693
N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 133282891
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
1-[[4-(benzylamino)-3-nitrobenzoyl]amino]-3-pentylthiourea
CID 9150303
[4-[(4-hydroxyphenyl)methylamino]-3-nitrophenyl]-phenylmethanone
CID 47020734
4-(aminomethyl)-N-benzyl-2-nitroaniline
CID 96664923
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
N-methyl-4-(3-methylbutylamino)-3-nitrobenzamide
CID 47370288

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(benzylamino)-N-methyl-3-nitrobenzamide (CID 78906795) is 4-(benzylamino)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(benzylamino)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(benzylamino)-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(benzylamino)-N-methyl-3-nitrobenzamide?
The InChIKey is SSWOIWIUILQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-15(19)12-7-8-13(14(9-12)18(20)21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19).
What are the key properties of 4-(benzylamino)-N-methyl-3-nitrobenzamide?
4-(benzylamino)-N-methyl-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 78906795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).