2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide

C15H15N3O3 — CID 60706284

IUPAC2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCNc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H15N3O3/c1-10-12(8-5-9-14(10)18(20)21)17-15(19)11-6-3-4-7-13(11)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyAIRZZHHWZFUIEN-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds4

About 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide

2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 60706284) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID60706284
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCNc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H15N3O3/c1-10-12(8-5-9-14(10)18(20)21)17-15(19)11-6-3-4-7-13(11)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyAIRZZHHWZFUIEN-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'}

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Related Compounds

2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
N-(2-methyl-3-nitrophenyl)-1-oxoisochromene-4-carboxamide
CID 4183426
N-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide (CID 60706284) is 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide is CNc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is AIRZZHHWZFUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-12(8-5-9-14(10)18(20)21)17-15(19)11-6-3-4-7-13(11)16-2/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide?
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide 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-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 60706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).