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

C17H15FN2O2 — CID 109043611

IUPAC4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-9,11H,1,10H2,(H,19,21)(H,20,22)
InChIKeyAZGGEIVYWNFPRS-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.99
Rot. Bonds5

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

4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043611) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043611
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-9,11H,1,10H2,(H,19,21)(H,20,22)
InChIKeyAZGGEIVYWNFPRS-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.99
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

N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043611) is 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-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-enylbenzene-1,4-dicarboxamide?
The InChIKey is AZGGEIVYWNFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-10-19-16(21)12-6-8-13(9-7-12)17(22)20-15-5-3-4-14(18)11-15/h2-9,11H,1,10H2,(H,19,21)(H,20,22).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.99, 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-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).