4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

C21H22F2N2O2 — CID 109148399

IUPAC4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H22F2N2O2/c22-17-5-3-6-18(12-17)25-21(27)15-10-8-14(9-11-15)20(26)24-13-16-4-1-2-7-19(16)23/h1-7,12,14-15H,8-11,13H2,(H,24,26)(H,25,27)
InChIKeyPMHMXGVKLHMWKX-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.03
Rot. Bonds5

About 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148399) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148399
Molecular FormulaC21H22F2N2O2
Molecular Weight372.41 g/mol
Exact Mass372.16
IUPAC Name4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H22F2N2O2/c22-17-5-3-6-18(12-17)25-21(27)15-10-8-14(9-11-15)20(26)24-13-16-4-1-2-7-19(16)23/h1-7,12,14-15H,8-11,13H2,(H,24,26)(H,25,27)
InChIKeyPMHMXGVKLHMWKX-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148399) is 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is O=C(NCc1ccccc1F)C1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is PMHMXGVKLHMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-17-5-3-6-18(12-17)25-21(27)15-10-8-14(9-11-15)20(26)24-13-16-4-1-2-7-19(16)23/h1-7,12,14-15H,8-11,13H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 372.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).