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

C23H27FN2O2 — CID 109148380

IUPAC4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O2/c1-2-16-7-4-6-10-21(16)26-23(28)18-13-11-17(12-14-18)22(27)25-15-19-8-3-5-9-20(19)24/h3-10,17-18H,2,11-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyLEFIBMOBBKWWFD-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.45
Rot. Bonds6

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

4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148380) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148380
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O2/c1-2-16-7-4-6-10-21(16)26-23(28)18-13-11-17(12-14-18)22(27)25-15-19-8-3-5-9-20(19)24/h3-10,17-18H,2,11-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyLEFIBMOBBKWWFD-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
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
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148380) is 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is CCc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is LEFIBMOBBKWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-2-16-7-4-6-10-21(16)26-23(28)18-13-11-17(12-14-18)22(27)25-15-19-8-3-5-9-20(19)24/h3-10,17-18H,2,11-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).