4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

C17H21FN2O2 — CID 109145001

IUPAC4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-5,11-13H,1,6-10H2,(H,19,21)(H,20,22)
InChIKeyMJYZLWFGDZZNDN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.87
Rot. Bonds5

About 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (PubChem CID 109145001) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
PubChem CID109145001
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-5,11-13H,1,6-10H2,(H,19,21)(H,20,22)
InChIKeyMJYZLWFGDZZNDN-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (CID 109145001) is 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is C=CCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The InChIKey is MJYZLWFGDZZNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-5,11-13H,1,6-10H2,(H,19,21)(H,20,22).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).