N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide

C14H12ClFN2O — CID 71325211

IUPACN-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
SMILESN#CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1
InChIInChI=1S/C14H12ClFN2O/c15-12-7-10(5-6-13(12)16)18-14(19)11-4-2-1-3-9(11)8-17/h5-7H,1-4H2,(H,18,19)
InChIKeyZLUKCIJUQCAULU-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.81
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide

N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide (PubChem CID 71325211) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
PubChem CID71325211
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
SMILESN#CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1
InChIInChI=1S/C14H12ClFN2O/c15-12-7-10(5-6-13(12)16)18-14(19)11-4-2-1-3-9(11)8-17/h5-7H,1-4H2,(H,18,19)
InChIKeyZLUKCIJUQCAULU-UHFFFAOYSA-N
XLogP3.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-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

2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide
CID 71325215
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 56921801
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide (CID 71325211) is N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide is N#CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide?
The InChIKey is ZLUKCIJUQCAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-7-10(5-6-13(12)16)18-14(19)11-4-2-1-3-9(11)8-17/h5-7H,1-4H2,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide is sourced from PubChem (CID 71325211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).