N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide

C18H18FNO2 — CID 4278423

IUPACN-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H18FNO2/c1-2-12-22-17-9-4-3-6-14(17)10-11-18(21)20-16-8-5-7-15(19)13-16/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyJTABMBAYSHYBMD-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.27
Rot. Bonds6

About N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide

N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 4278423) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID4278423
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H18FNO2/c1-2-12-22-17-9-4-3-6-14(17)10-11-18(21)20-16-8-5-7-15(19)13-16/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyJTABMBAYSHYBMD-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
3-(2-butoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5000698
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 2071503
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide (CID 4278423) is N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is JTABMBAYSHYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-12-22-17-9-4-3-6-14(17)10-11-18(21)20-16-8-5-7-15(19)13-16/h3-11,13H,2,12H2,1H3,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide?
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4278423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).