N-methyl-2-(3-nitroanilino)-N-phenylacetamide

C15H15N3O3 — CID 9298118

IUPACN-methyl-2-(3-nitroanilino)-N-phenylacetamide
SMILESCN(C(=O)CNc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-17(13-7-3-2-4-8-13)15(19)11-16-12-6-5-9-14(10-12)18(20)21/h2-10,16H,11H2,1H3
InChIKeyWQGQPYPVNHNKRZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-2-(3-nitroanilino)-N-phenylacetamide

N-methyl-2-(3-nitroanilino)-N-phenylacetamide (PubChem CID 9298118) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-methyl-2-(3-nitroanilino)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-nitroanilino)-N-phenylacetamide
PubChem CID9298118
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-methyl-2-(3-nitroanilino)-N-phenylacetamide
SMILESCN(C(=O)CNc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-17(13-7-3-2-4-8-13)15(19)11-16-12-6-5-9-14(10-12)18(20)21/h2-10,16H,11H2,1H3
InChIKeyWQGQPYPVNHNKRZ-UHFFFAOYSA-N
XLogP2.67
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.67
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

2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
1-(3-nitroanilino)propan-2-one
CID 141021170
2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
CID 140995398
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide
CID 9345745
4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 51224881
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
3-(3-nitroanilino)propanoic acid
CID 3428930
1-(3-nitroanilino)propan-2-ol
CID 43500225
1-[2-(N-methylanilino)ethyl]-3-(3-nitrophenyl)urea
CID 27870936
2-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-nitroanilino)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(3-nitroanilino)-N-phenylacetamide (CID 9298118) is N-methyl-2-(3-nitroanilino)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(3-nitroanilino)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(3-nitroanilino)-N-phenylacetamide is CN(C(=O)CNc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-nitroanilino)-N-phenylacetamide?
The InChIKey is WQGQPYPVNHNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17(13-7-3-2-4-8-13)15(19)11-16-12-6-5-9-14(10-12)18(20)21/h2-10,16H,11H2,1H3.
What are the key properties of N-methyl-2-(3-nitroanilino)-N-phenylacetamide?
N-methyl-2-(3-nitroanilino)-N-phenylacetamide has a molecular weight of 285.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-nitroanilino)-N-phenylacetamide is sourced from PubChem (CID 9298118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).