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

C15H14N2O3 — CID 13047995

IUPACN-methyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(N(C)C(=O)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11-13(9-6-10-14(11)17(19)20)16(2)15(18)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeySNUWADVDYSHLNG-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.18
Rot. Bonds3

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

N-methyl-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 13047995) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID13047995
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-methyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(N(C)C(=O)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11-13(9-6-10-14(11)17(19)20)16(2)15(18)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeySNUWADVDYSHLNG-UHFFFAOYSA-N
XLogP3.18
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-methyl-N-(2-methylphenyl)-3,4-dinitrobenzamide
CID 54159508
methyl 2-(2-methyl-3-nitro-N-propan-2-ylanilino)acetate
CID 55146227
N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
CID 60606388
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109
2-methyl-2-[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 62817099
(4-methyl-3,5-dinitrophenyl)-phenylmethanone
CID 15084102
2-[carboxymethyl-(2-methyl-3-nitrobenzoyl)amino]acetic acid
CID 63646247
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 19219288
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
4-[methyl-(2-methyl-3-nitrobenzoyl)amino]butanoic acid
CID 43235387
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-(2-bromoethyl)-N,2-dimethyl-3-nitrobenzamide
CID 80659716

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of N-methyl-N-(2-methyl-3-nitrophenyl)benzamide (CID 13047995) is N-methyl-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for N-methyl-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(N(C)C(=O)c2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is SNUWADVDYSHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-13(9-6-10-14(11)17(19)20)16(2)15(18)12-7-4-3-5-8-12/h3-10H,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-3-nitrophenyl)benzamide?
N-methyl-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 13047995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).