4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide

C22H25FN2O2 — CID 109150694

IUPAC4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h7-13,16-17H,3-6H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWPGMKTKYFTXSPG-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.83
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150694) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150694
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h7-13,16-17H,3-6H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWPGMKTKYFTXSPG-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 47069861
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109150694) is 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WPGMKTKYFTXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-11-15(2)13-20(12-14)25-22(27)17-5-3-16(4-6-17)21(26)24-19-9-7-18(23)8-10-19/h7-13,16-17H,3-6H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide?
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).