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

C21H23ClFNO — CID 58842809

IUPAC1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1F)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-10-8-17(9-11-18)21(13-4-1-5-14-21)20(25)24-15-12-16-6-2-3-7-19(16)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25)
InChIKeyRBXOHBZKXLRWBA-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.04
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 58842809) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID58842809
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC Name1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1F)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C21H23ClFNO/c22-18-10-8-17(9-11-18)21(13-4-1-5-14-21)20(25)24-15-12-16-6-2-3-7-19(16)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25)
InChIKeyRBXOHBZKXLRWBA-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 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 58842809) is 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide is O=C(NCCc1ccccc1F)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is RBXOHBZKXLRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-18-10-8-17(9-11-18)21(13-4-1-5-14-21)20(25)24-15-12-16-6-2-3-7-19(16)23/h2-3,6-11H,1,4-5,12-15H2,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]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 1-(4-chlorophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58842809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).