N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide

C14H14BrFN2O — CID 61458910

IUPACN-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C14H14BrFN2O/c15-10-4-5-12(11(16)8-10)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyZCLSDZLYYPZEPC-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.00
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide

N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide (PubChem CID 61458910) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
PubChem CID61458910
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C14H14BrFN2O/c15-10-4-5-12(11(16)8-10)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyZCLSDZLYYPZEPC-UHFFFAOYSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-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-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide (CID 61458910) is N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide is N#CC1(C(=O)Nc2ccc(Br)cc2F)CCCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide?
The InChIKey is ZCLSDZLYYPZEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c15-10-4-5-12(11(16)8-10)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide has a molecular weight of 325.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 61458910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).