1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

C20H21FN2O2 — CID 109044796

IUPAC1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H21FN2O2/c21-17-8-4-5-9-18(17)23-20(25)15-12-10-14(11-13-15)19(24)22-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,22,24)(H,23,25)
InChIKeyCUMRBPFQLNXITD-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.14
Rot. Bonds4

About 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109044796) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109044796
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H21FN2O2/c21-17-8-4-5-9-18(17)23-20(25)15-12-10-14(11-13-15)19(24)22-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,22,24)(H,23,25)
InChIKeyCUMRBPFQLNXITD-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109107049
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
4-benzamido-N-cyclopentylbenzamide
CID 1262350
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
6-N-cyclopropyl-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109093918
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
N-cyclohexyl-4-[(2,6-difluorophenyl)sulfamoyl]benzamide
CID 109059522
3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109051962
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
3-[(4-fluorobenzoyl)amino]-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218272

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (CID 109044796) is 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is CUMRBPFQLNXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-8-4-5-9-18(17)23-20(25)15-12-10-14(11-13-15)19(24)22-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).