N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide

C21H23ClFNO — CID 58842403

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-9-7-16(8-10-18)11-14-24-20(25)21(12-2-1-3-13-21)17-5-4-6-19(23)15-17/h4-10,15H,1-3,11-14H2,(H,24,25)
InChIKeyWIVXWAZXBYYLBZ-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.04
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 58842403) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID58842403
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-9-7-16(8-10-18)11-14-24-20(25)21(12-2-1-3-13-21)17-5-4-6-19(23)15-17/h4-10,15H,1-3,11-14H2,(H,24,25)
InChIKeyWIVXWAZXBYYLBZ-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-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

4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 56680284
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 56680285
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 56683606
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide (CID 58842403) is N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is WIVXWAZXBYYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-18-9-7-16(8-10-18)11-14-24-20(25)21(12-2-1-3-13-21)17-5-4-6-19(23)15-17/h4-10,15H,1-3,11-14H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 359.87 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58842403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).