2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide

C15H15N3O3 — CID 115936448

IUPAC2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2ccccc2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-6-3-4-8-12(10)17-15(19)11-7-5-9-13(18(20)21)14(11)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyFKERWXONHRMRIM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds4

About 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide

2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide (PubChem CID 115936448) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
PubChem CID115936448
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2ccccc2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-6-3-4-8-12(10)17-15(19)11-7-5-9-13(18(20)21)14(11)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyFKERWXONHRMRIM-UHFFFAOYSA-N
XLogP3.20
TPSA84.27 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 ≤ 53.20
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 2-(methylamino)-N-(2-methylphenyl)-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-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
CID 104773290
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide (CID 115936448) is 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide is CNc1c(C(=O)Nc2ccccc2C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide?
The InChIKey is FKERWXONHRMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-6-3-4-8-12(10)17-15(19)11-7-5-9-13(18(20)21)14(11)16-2/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide?
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 115936448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).