N-(4-bromophenyl)cyclohexanecarboxamide

C13H16BrNO — CID 531820

IUPACN-(4-bromophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C13H16BrNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
InChIKeyJENRJNSQQXLAFZ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.97
Rot. Bonds2

About N-(4-bromophenyl)cyclohexanecarboxamide

N-(4-bromophenyl)cyclohexanecarboxamide (PubChem CID 531820) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(4-bromophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)cyclohexanecarboxamide
PubChem CID531820
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(4-bromophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C13H16BrNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
InChIKeyJENRJNSQQXLAFZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)cyclohexanecarboxamide 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-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[(4-bromophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924375
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
CID 90010681
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-bromophenyl)cyclohexanecarboxamide (CID 531820) is N-(4-bromophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-bromophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-bromophenyl)cyclohexanecarboxamide is O=C(Nc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)cyclohexanecarboxamide?
The InChIKey is JENRJNSQQXLAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16).
What are the key properties of N-(4-bromophenyl)cyclohexanecarboxamide?
N-(4-bromophenyl)cyclohexanecarboxamide has a molecular weight of 282.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 531820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).