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

C23H27FN2O3 — CID 109150875

IUPAC4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-15(2)29-19-13-11-18(12-14-19)25-22(27)16-7-9-17(10-8-16)23(28)26-21-6-4-3-5-20(21)24/h3-6,11-17H,7-10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRDUTYCUNHPBMMA-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.00
Rot. Bonds6

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

4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150875) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150875
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-15(2)29-19-13-11-18(12-14-19)25-22(27)16-7-9-17(10-8-16)23(28)26-21-6-4-3-5-20(21)24/h3-6,11-17H,7-10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRDUTYCUNHPBMMA-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-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143638
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
(3S,4S)-N-(2-fluorophenyl)-1-methyl-2-oxo-4-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 134411876
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109150875) is 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RDUTYCUNHPBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15(2)29-19-13-11-18(12-14-19)25-22(27)16-7-9-17(10-8-16)23(28)26-21-6-4-3-5-20(21)24/h3-6,11-17H,7-10H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-fluorophenyl)-1-N-(4-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-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).