(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide

C19H18FNO2 — CID 33315002

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-5-1-14(2-6-17)9-11-21-19(22)8-4-15-3-7-18-16(13-15)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-4+
InChIKeyPRQUHXIHJDGOLP-XBXARRHUSA-N
MW311.36 g/mol
LogP3.13
Rot. Bonds5

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 33315002) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
PubChem CID33315002
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-5-1-14(2-6-17)9-11-21-19(22)8-4-15-3-7-18-16(13-15)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-4+
InChIKeyPRQUHXIHJDGOLP-XBXARRHUSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.13
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

Cifea
CID 53238181
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
N-[2-(1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
CID 22004791
N-[2-(7-Phenyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 22004862
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-propyl}-propionamide
CID 44389812
N-[2-(7-Isopropyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53237946
N-[2-(7-Isopropyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]propanamide
CID 53237947
2,2,2-trifluoro-N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53237949
N-[2-(7-Benzyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53237951
N-[2-[7-(2-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238186
N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238407

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (CID 33315002) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is PRQUHXIHJDGOLP-XBXARRHUSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-5-1-14(2-6-17)9-11-21-19(22)8-4-15-3-7-18-16(13-15)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-4+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide has a molecular weight of 311.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 33315002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).