2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide

C12H14ClN3O3 — CID 54925136

IUPAC2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c1-12(14,7-2-3-7)11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-7H,2-3,14H2,1H3,(H,15,17)
InChIKeyUNKVLCRXVZPYAQ-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide

2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide (PubChem CID 54925136) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
PubChem CID54925136
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c1-12(14,7-2-3-7)11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-7H,2-3,14H2,1H3,(H,15,17)
InChIKeyUNKVLCRXVZPYAQ-UHFFFAOYSA-N
XLogP2.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.31
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-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
CID 60867137
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide
CID 78965442
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-cyclopentyl-dimethylazanium
CID 8875505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide (CID 54925136) is 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide is CC(N)(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1.
What is the InChIKey of 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide?
The InChIKey is UNKVLCRXVZPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-12(14,7-2-3-7)11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-7H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide?
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide has a molecular weight of 283.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 54925136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).