N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide

C12H14BrClN2O — CID 114024784

IUPACN-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
SMILESNCC(NC(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H14BrClN2O/c13-9-5-8(3-4-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyRWLVJABIHQZIQT-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.57
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide

N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide (PubChem CID 114024784) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
PubChem CID114024784
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
SMILESNCC(NC(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H14BrClN2O/c13-9-5-8(3-4-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyRWLVJABIHQZIQT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-bromo-4-chlorobenzamide
CID 107999073
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230
N-(2-amino-1-cyclopropylethyl)-7-bromo-1,3-benzodioxole-5-carboxamide
CID 119617085
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide (CID 114024784) is N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide is NCC(NC(=O)c1ccc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide?
The InChIKey is RWLVJABIHQZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-5-8(3-4-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide?
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide has a molecular weight of 317.61 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 114024784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).