1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide

C24H29FN2O2 — CID 109148209

IUPAC1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O2/c1-17(18-7-3-2-4-8-18)27-24(29)21-13-11-20(12-14-21)23(28)26-16-15-19-9-5-6-10-22(19)25/h2-10,17,20-21H,11-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyPFYOZJVNXUODTP-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.17
Rot. Bonds7

About 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148209) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148209
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O2/c1-17(18-7-3-2-4-8-18)27-24(29)21-13-11-20(12-14-21)23(28)26-16-15-19-9-5-6-10-22(19)25/h2-10,17,20-21H,11-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyPFYOZJVNXUODTP-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148209) is 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide is CC(NC(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is PFYOZJVNXUODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-17(18-7-3-2-4-8-18)27-24(29)21-13-11-20(12-14-21)23(28)26-16-15-19-9-5-6-10-22(19)25/h2-10,17,20-21H,11-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).