2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide

C11H14N4O3 — CID 106749007

IUPAC2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
SMILESNc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c12-9-5-8(3-4-10(9)15(17)18)13-6-11(16)14-7-1-2-7/h3-5,7,13H,1-2,6,12H2,(H,14,16)
InChIKeyKWUXNNACMGRZGS-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.87
Rot. Bonds5

About 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide

2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide (PubChem CID 106749007) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
PubChem CID106749007
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
SMILESNc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c12-9-5-8(3-4-10(9)15(17)18)13-6-11(16)14-7-1-2-7/h3-5,7,13H,1-2,6,12H2,(H,14,16)
InChIKeyKWUXNNACMGRZGS-UHFFFAOYSA-N
XLogP0.87
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide
CID 63670428
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
1-N-(cyclohexylmethyl)-4-nitrobenzene-1,3-diamine
CID 106748968
1-N-(2-cyclopentylethyl)-4-nitrobenzene-1,3-diamine
CID 106749030
1-[(3-amino-4-nitroanilino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 106749396
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 114044387
4-(3-amino-4-nitroanilino)butanoate
CID 5276888
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
2-(3,4-dinitroanilino)-N-hydroxyacetamide
CID 175346014

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide (CID 106749007) is 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide is Nc1cc(NCC(=O)NC2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide?
The InChIKey is KWUXNNACMGRZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-9-5-8(3-4-10(9)15(17)18)13-6-11(16)14-7-1-2-7/h3-5,7,13H,1-2,6,12H2,(H,14,16).
What are the key properties of 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide?
2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide has a molecular weight of 250.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 106749007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).