4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide

C21H20FN3O2 — CID 109151123

IUPAC4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-7,12,14-15H,8-11H2,(H,24,26)(H,25,27)
InChIKeyLAWUIJQNOBXNIA-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.08
Rot. Bonds4

About 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide

4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151123) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151123
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-7,12,14-15H,8-11H2,(H,24,26)(H,25,27)
InChIKeyLAWUIJQNOBXNIA-UHFFFAOYSA-N
XLogP4.08
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109151123) is 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is N#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LAWUIJQNOBXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-5-3-6-18(12-17)24-20(26)14-8-10-15(11-9-14)21(27)25-19-7-2-1-4-16(19)13-23/h1-7,12,14-15H,8-11H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).