3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide

C23H19FN2O2 — CID 74780992

IUPAC3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C23H19FN2O2/c24-19-5-1-3-16(13-19)7-8-22(27)26-15-20-14-18-4-2-6-21(23(18)28-20)17-9-11-25-12-10-17/h1-13,20H,14-15H2,(H,26,27)
InChIKeyKYBUJSBSJPVAPV-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.02
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide

3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide (PubChem CID 74780992) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
PubChem CID74780992
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C23H19FN2O2/c24-19-5-1-3-16(13-19)7-8-22(27)26-15-20-14-18-4-2-6-21(23(18)28-20)17-9-11-25-12-10-17/h1-13,20H,14-15H2,(H,26,27)
InChIKeyKYBUJSBSJPVAPV-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-4-yl-N-[[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 74501481
(E)-3-pyridin-4-yl-N-[[(2R)-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 26356793
(E)-N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 42246262
[4-[2-[[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]phenyl]methanesulfinic acid
CID 122451839
N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42163523
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 74496936
3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45187464
3-(3-methylpyrazol-1-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42165932
(E)-N-[[7-(5-acetylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(6-amino-3-pyridinyl)prop-2-enamide
CID 90196164
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
(E)-N-[[(2S)-5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42368240

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide (CID 74780992) is 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide is O=C(C=Cc1cccc(F)c1)NCC1Cc2cccc(-c3ccncc3)c2O1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide?
The InChIKey is KYBUJSBSJPVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-19-5-1-3-16(13-19)7-8-22(27)26-15-20-14-18-4-2-6-21(23(18)28-20)17-9-11-25-12-10-17/h1-13,20H,14-15H2,(H,26,27).
What are the key properties of 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide?
3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide has a molecular weight of 374.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 74780992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).