4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

C21H22ClFN2O2 — CID 109148389

IUPAC4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-9-11-18(12-10-17)25-21(27)15-7-5-14(6-8-15)20(26)24-13-16-3-1-2-4-19(16)23/h1-4,9-12,14-15H,5-8,13H2,(H,24,26)(H,25,27)
InChIKeyIHCHUXZLAKZSMZ-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.54
Rot. Bonds5

About 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148389) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148389
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-9-11-18(12-10-17)25-21(27)15-7-5-14(6-8-15)20(26)24-13-16-3-1-2-4-19(16)23/h1-4,9-12,14-15H,5-8,13H2,(H,24,26)(H,25,27)
InChIKeyIHCHUXZLAKZSMZ-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148389) is 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is O=C(NCc1ccccc1F)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is IHCHUXZLAKZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-9-11-18(12-10-17)25-21(27)15-7-5-14(6-8-15)20(26)24-13-16-3-1-2-4-19(16)23/h1-4,9-12,14-15H,5-8,13H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 388.87 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).