4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

C23H27FN2O3 — CID 109150874

IUPAC4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3/c1-15(2)29-21-10-6-5-9-20(21)26-23(28)17-13-11-16(12-14-17)22(27)25-19-8-4-3-7-18(19)24/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNUWYXVJCHJUZSB-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.00
Rot. Bonds6

About 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150874) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150874
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3/c1-15(2)29-21-10-6-5-9-20(21)26-23(28)17-13-11-16(12-14-17)22(27)25-19-8-4-3-7-18(19)24/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNUWYXVJCHJUZSB-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150875
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
CID 46761350
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 39498100
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109150874) is 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is CC(C)Oc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is NUWYXVJCHJUZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15(2)29-21-10-6-5-9-20(21)26-23(28)17-13-11-16(12-14-17)22(27)25-19-8-4-3-7-18(19)24/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 398.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).