(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

C23H20FN3O2 — CID 45197638

IUPAC(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)/C(F)=C/c1ccccc1)C2
InChIInChI=1S/C23H20FN3O2/c1-15-9-17-12-18(29-22(17)19(10-15)21-14-25-7-8-26-21)13-27-23(28)20(24)11-16-5-3-2-4-6-16/h2-11,14,18H,12-13H2,1H3,(H,27,28)/b20-11-
InChIKeyGMRNORYNRCMKAY-JAIQZWGSSA-N
MW389.43 g/mol
LogP3.88
Rot. Bonds5

About (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide

(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 45197638) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
PubChem CID45197638
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)/C(F)=C/c1ccccc1)C2
InChIInChI=1S/C23H20FN3O2/c1-15-9-17-12-18(29-22(17)19(10-15)21-14-25-7-8-26-21)13-27-23(28)20(24)11-16-5-3-2-4-6-16/h2-11,14,18H,12-13H2,1H3,(H,27,28)/b20-11-
InChIKeyGMRNORYNRCMKAY-JAIQZWGSSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-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

2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45230284
2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
(E)-N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 42246124
N-[[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42484035
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide
CID 126462693
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
(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
(E)-N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 45173442
1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
CID 42376585

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide (CID 45197638) is (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide is Cc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)/C(F)=C/c1ccccc1)C2.
What is the InChIKey of (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is GMRNORYNRCMKAY-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-9-17-12-18(29-22(17)19(10-15)21-14-25-7-8-26-21)13-27-23(28)20(24)11-16-5-3-2-4-6-16/h2-11,14,18H,12-13H2,1H3,(H,27,28)/b20-11-.
What are the key properties of (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide?
(Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 389.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 45197638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).