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

C15H15N3O3 — CID 115936364

IUPAC2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2cccc(C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-5-3-6-11(9-10)17-15(19)12-7-4-8-13(18(20)21)14(12)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyLCXSSRFYNYAIAG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds4

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

2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 115936364) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID115936364
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2cccc(C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-5-3-6-11(9-10)17-15(19)12-7-4-8-13(18(20)21)14(12)16-2/h3-9,16H,1-2H3,(H,17,19)
InChIKeyLCXSSRFYNYAIAG-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-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
CID 104773290
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
2-(methylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936516
N-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
N'-(3-methylphenyl)-2-nitrobenzohydrazide
CID 141479150

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide (CID 115936364) is 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide is CNc1c(C(=O)Nc2cccc(C)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is LCXSSRFYNYAIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-5-3-6-11(9-10)17-15(19)12-7-4-8-13(18(20)21)14(12)16-2/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
2-(methylamino)-N-(3-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-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 115936364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).