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

C21H22ClFN2O2 — CID 109148495

IUPAC1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-2-1-5-16(17)13-24-20(26)14-9-11-15(12-10-14)21(27)25-19-8-4-3-7-18(19)23/h1-8,14-15H,9-13H2,(H,24,26)(H,25,27)
InChIKeyIVKBCVLDBPOSPL-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.54
Rot. Bonds5

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

1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148495) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148495
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-2-1-5-16(17)13-24-20(26)14-9-11-15(12-10-14)21(27)25-19-8-4-3-7-18(19)23/h1-8,14-15H,9-13H2,(H,24,26)(H,25,27)
InChIKeyIVKBCVLDBPOSPL-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

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152804
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109148495) is 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccccc1Cl)C1CCC(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is IVKBCVLDBPOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-6-2-1-5-16(17)13-24-20(26)14-9-11-15(12-10-14)21(27)25-19-8-4-3-7-18(19)23/h1-8,14-15H,9-13H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide?
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)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 1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).