3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide

C18H14ClN3O2 — CID 171136911

IUPAC3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H14ClN3O2/c19-14-5-2-1-4-13(14)7-8-17(23)22-12-15-18(21-10-9-20-15)16-6-3-11-24-16/h1-11H,12H2,(H,22,23)
InChIKeyYSBVAVCHJGRZPH-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.72
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide

3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide (PubChem CID 171136911) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
PubChem CID171136911
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H14ClN3O2/c19-14-5-2-1-4-13(14)7-8-17(23)22-12-15-18(21-10-9-20-15)16-6-3-11-24-16/h1-11H,12H2,(H,22,23)
InChIKeyYSBVAVCHJGRZPH-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
CID 121198721
(E)-3-(2-chlorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 71797314
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
(E)-3-(2-chlorophenyl)-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]prop-2-enamide
CID 117055104
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 121198819
(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
CID 91625800
1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide (CID 171136911) is 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide is O=C(C=Cc1ccccc1Cl)NCc1nccnc1-c1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide?
The InChIKey is YSBVAVCHJGRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-5-2-1-4-13(14)7-8-17(23)22-12-15-18(21-10-9-20-15)16-6-3-11-24-16/h1-11H,12H2,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide?
3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide has a molecular weight of 339.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 171136911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).