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

C21H23ClFNO — CID 58842402

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-8-4-16(5-9-18)12-15-24-20(25)21(13-2-1-3-14-21)17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2,(H,24,25)
InChIKeyBHPFVPJDUBFNJK-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.04
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 58842402) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID58842402
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-8-4-16(5-9-18)12-15-24-20(25)21(13-2-1-3-14-21)17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2,(H,24,25)
InChIKeyBHPFVPJDUBFNJK-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide (CID 58842402) is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BHPFVPJDUBFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-18-8-4-16(5-9-18)12-15-24-20(25)21(13-2-1-3-14-21)17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4-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-(4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).