2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide

C12H14BrClN2O — CID 112735394

IUPAC2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
SMILESNC(CC1CC1)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c13-9-6-8(14)3-4-11(9)16-12(17)10(15)5-7-1-2-7/h3-4,6-7,10H,1-2,5,15H2,(H,16,17)
InChIKeyKDTGCZXVUGVMCK-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide

2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide (PubChem CID 112735394) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
PubChem CID112735394
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
SMILESNC(CC1CC1)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c13-9-6-8(14)3-4-11(9)16-12(17)10(15)5-7-1-2-7/h3-4,6-7,10H,1-2,5,15H2,(H,16,17)
InChIKeyKDTGCZXVUGVMCK-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
(2-bromo-4-chlorophenyl)urea
CID 81003362
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
CID 112735488
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
CID 119282987
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide (CID 112735394) is 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide is NC(CC1CC1)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide?
The InChIKey is KDTGCZXVUGVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-6-8(14)3-4-11(9)16-12(17)10(15)5-7-1-2-7/h3-4,6-7,10H,1-2,5,15H2,(H,16,17).
What are the key properties of 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide?
2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide has a molecular weight of 317.61 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 112735394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).