1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide

C22H25FN2O3 — CID 109151076

IUPAC1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O3/c1-14-6-11-20(28-2)19(12-14)25-22(27)16-9-7-15(8-10-16)21(26)24-18-5-3-4-17(23)13-18/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWOWMATQKWQYPSZ-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.53
Rot. Bonds5

About 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151076) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151076
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O3/c1-14-6-11-20(28-2)19(12-14)25-22(27)16-9-7-15(8-10-16)21(26)24-18-5-3-4-17(23)13-18/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWOWMATQKWQYPSZ-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
3-N-(3-fluorophenyl)-5-N-(2-methoxy-5-methylphenyl)pyridine-3,5-dicarboxamide
CID 109108948
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109151076) is 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide is COc1ccc(C)cc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WOWMATQKWQYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-6-11-20(28-2)19(12-14)25-22(27)16-9-7-15(8-10-16)21(26)24-18-5-3-4-17(23)13-18/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 384.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).