4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

C22H24F2N2O2 — CID 109149008

IUPAC4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O2/c23-18-10-11-20(19(24)14-18)26-22(28)17-8-6-16(7-9-17)21(27)25-13-12-15-4-2-1-3-5-15/h1-5,10-11,14,16-17H,6-9,12-13H2,(H,25,27)(H,26,28)
InChIKeyGZSXTWWEXJDQRO-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.07
Rot. Bonds6

About 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149008) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149008
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O2/c23-18-10-11-20(19(24)14-18)26-22(28)17-8-6-16(7-9-17)21(27)25-13-12-15-4-2-1-3-5-15/h1-5,10-11,14,16-17H,6-9,12-13H2,(H,25,27)(H,26,28)
InChIKeyGZSXTWWEXJDQRO-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109149008) is 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is O=C(NCCc1ccccc1)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GZSXTWWEXJDQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-18-10-11-20(19(24)14-18)26-22(28)17-8-6-16(7-9-17)21(27)25-13-12-15-4-2-1-3-5-15/h1-5,10-11,14,16-17H,6-9,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 386.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).