N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide

C11H14BrClN2O — CID 119584919

IUPACN-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-7(6-14)15(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7H,6,14H2,1-2H3
InChIKeyNLKVLJBETNKZBT-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.52
Rot. Bonds3

About N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide (PubChem CID 119584919) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
PubChem CID119584919
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-7(6-14)15(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7H,6,14H2,1-2H3
InChIKeyNLKVLJBETNKZBT-UHFFFAOYSA-N
XLogP2.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide 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

4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
CID 119583838
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide (CID 119584919) is N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide is CC(CN)N(C)C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide?
The InChIKey is NLKVLJBETNKZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7(6-14)15(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide has a molecular weight of 305.60 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide is sourced from PubChem (CID 119584919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).