N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide

C15H15N3O3 — CID 115548256

IUPACN-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide
SMILESCNc1cccc(C(=O)N(C)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-16-13-10-6-9-12(14(13)18(20)21)15(19)17(2)11-7-4-3-5-8-11/h3-10,16H,1-2H3
InChIKeyUPOYZBUIYOUGCG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide

N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide (PubChem CID 115548256) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide
PubChem CID115548256
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide
SMILESCNc1cccc(C(=O)N(C)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-16-13-10-6-9-12(14(13)18(20)21)15(19)17(2)11-7-4-3-5-8-11/h3-10,16H,1-2H3
InChIKeyUPOYZBUIYOUGCG-UHFFFAOYSA-N
XLogP2.91
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
CID 115549122
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548666
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548904
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 115548497
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
CID 82950772
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115549162
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 115548346
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693
3-(methylamino)-2-nitro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788082

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide?
The IUPAC name of N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide (CID 115548256) is N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide is CNc1cccc(C(=O)N(C)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide?
The InChIKey is UPOYZBUIYOUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-13-10-6-9-12(14(13)18(20)21)15(19)17(2)11-7-4-3-5-8-11/h3-10,16H,1-2H3.
What are the key properties of N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide?
N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide is sourced from PubChem (CID 115548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).