4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H22F2N2O2 — CID 109150408

IUPAC4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C21H22F2N2O2/c1-13-5-2-3-8-18(13)24-20(26)14-9-11-15(12-10-14)21(27)25-19-16(22)6-4-7-17(19)23/h2-8,14-15H,9-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyIRKYQEPVGRXILT-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.66
Rot. Bonds4

About 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150408) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150408
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C21H22F2N2O2/c1-13-5-2-3-8-18(13)24-20(26)14-9-11-15(12-10-14)21(27)25-19-16(22)6-4-7-17(19)23/h2-8,14-15H,9-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyIRKYQEPVGRXILT-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150408) is 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is IRKYQEPVGRXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13-5-2-3-8-18(13)24-20(26)14-9-11-15(12-10-14)21(27)25-19-16(22)6-4-7-17(19)23/h2-8,14-15H,9-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).