N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide

C14H24BrNO — CID 114309108

IUPACN-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(Br)CC2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-2-14(9-3-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyUNRXHSOJFARELH-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.78
Rot. Bonds3

About N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide

N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 114309108) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID114309108
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(Br)CC2)CCCC1
InChIInChI=1S/C14H24BrNO/c1-2-14(9-3-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyUNRXHSOJFARELH-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-bromocyclohexyl)-1-ethylcyclopentane-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-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
CID 130553810
1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 113384226
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
2-[4-[(1-ethylcyclopropanecarbonyl)amino]cyclohexyl]acetic acid
CID 121439175
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
1-ethyl-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120601589
3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid
CID 142274153
N-(4-bromocyclohexyl)-2-ethylbutanamide
CID 114309036
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
1-ethyl-N-(4-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 104826278
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide (CID 114309108) is N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NC2CCC(Br)CC2)CCCC1.
What is the InChIKey of N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is UNRXHSOJFARELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-2-14(9-3-4-10-14)13(17)16-12-7-5-11(15)6-8-12/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide?
N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114309108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).