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

C24H29FN2O2 — CID 109148357

IUPAC4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2,(H,26,28)(H,27,29)
InChIKeyAIYUXMPLYWDGEX-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.00
Rot. Bonds8

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

4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148357) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148357
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2,(H,26,28)(H,27,29)
InChIKeyAIYUXMPLYWDGEX-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.00
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-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (CID 109148357) is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is O=C(NCCCc1ccccc1)C1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is AIYUXMPLYWDGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).