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

C23H27FN2O2 — CID 109149531

IUPAC4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O2/c24-20-10-4-5-11-21(20)26-23(28)19-14-12-18(13-15-19)22(27)25-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,18-19H,6,9,12-16H2,(H,25,27)(H,26,28)
InChIKeyDIYBISPYTATJKR-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.32
Rot. Bonds7

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

4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149531) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149531
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O2/c24-20-10-4-5-11-21(20)26-23(28)19-14-12-18(13-15-19)22(27)25-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,18-19H,6,9,12-16H2,(H,25,27)(H,26,28)
InChIKeyDIYBISPYTATJKR-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (CID 109149531) is 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is O=C(NCCCc1ccccc1)C1CCC(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is DIYBISPYTATJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-20-10-4-5-11-21(20)26-23(28)19-14-12-18(13-15-19)22(27)25-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,18-19H,6,9,12-16H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).