N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride

C15H21BrCl2N2O — CID 119476172

IUPACN-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H20BrClN2O.ClH/c16-14-7-2-11(17)9-10(14)1-8-15(20)19-13-5-3-12(18)4-6-13;/h2,7,9,12-13H,1,3-6,8,18H2,(H,19,20);1H
InChIKeyTWLGYKQWARPTAL-UHFFFAOYSA-N
MW396.16 g/mol
LogP3.84
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride (PubChem CID 119476172) has the molecular formula C15H21BrCl2N2O and a molecular weight of 396.16 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
PubChem CID119476172
Molecular FormulaC15H21BrCl2N2O
Molecular Weight396.16 g/mol
Exact Mass394.02
IUPAC NameN-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H20BrClN2O.ClH/c16-14-7-2-11(17)9-10(14)1-8-15(20)19-13-5-3-12(18)4-6-13;/h2,7,9,12-13H,1,3-6,8,18H2,(H,19,20);1H
InChIKeyTWLGYKQWARPTAL-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride 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-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81281134
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
CID 115272912
1-[3-(2-bromo-5-chlorophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 120688371
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride (CID 119476172) is N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The InChIKey is TWLGYKQWARPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O.ClH/c16-14-7-2-11(17)9-10(14)1-8-15(20)19-13-5-3-12(18)4-6-13;/h2,7,9,12-13H,1,3-6,8,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride has a molecular weight of 396.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119476172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).