N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide

C18H25BrN2O — CID 119475744

IUPACN-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(NC(=O)C2(c3cccc(Br)c3)CCCC2)CC1
InChIInChI=1S/C18H25BrN2O/c19-14-5-3-4-13(12-14)18(10-1-2-11-18)17(22)21-16-8-6-15(20)7-9-16/h3-5,12,15-16H,1-2,6-11,20H2,(H,21,22)
InChIKeyHCIQUYZWCQTYIA-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.65
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide

N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide (PubChem CID 119475744) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
PubChem CID119475744
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC NameN-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(NC(=O)C2(c3cccc(Br)c3)CCCC2)CC1
InChIInChI=1S/C18H25BrN2O/c19-14-5-3-4-13(12-14)18(10-1-2-11-18)17(22)21-16-8-6-15(20)7-9-16/h3-5,12,15-16H,1-2,6-11,20H2,(H,21,22)
InChIKeyHCIQUYZWCQTYIA-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide 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)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
CID 119457804
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
1-[[5-(3-bromophenyl)spiro[2.3]hexane-5-carbonyl]amino]-3-cyclopropylthiourea
CID 170737210

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide (CID 119475744) is N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide is NC1CCC(NC(=O)C2(c3cccc(Br)c3)CCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide?
The InChIKey is HCIQUYZWCQTYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c19-14-5-3-4-13(12-14)18(10-1-2-11-18)17(22)21-16-8-6-15(20)7-9-16/h3-5,12,15-16H,1-2,6-11,20H2,(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide?
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119475744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).