3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide

C18H18FNO2 — CID 100514728

IUPAC3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h2-4,6-11H,1,5,12-13H2,(H,20,21)
InChIKeyMJFZONNGFVTITL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.96
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide

3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 100514728) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID100514728
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h2-4,6-11H,1,5,12-13H2,(H,20,21)
InChIKeyMJFZONNGFVTITL-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
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2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
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3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
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3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
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3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
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CID 38167098

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide (CID 100514728) is 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is MJFZONNGFVTITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h2-4,6-11H,1,5,12-13H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide?
3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 299.35 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 100514728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).