(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide

C20H18ClNO3 — CID 51370810

IUPAC(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)c(C)c3)oc12
InChIInChI=1S/C20H18ClNO3/c1-12-4-5-16(8-13(12)2)22-19(23)7-6-17-10-14-9-15(21)11-18(24-3)20(14)25-17/h4-11H,1-3H3,(H,22,23)/b7-6+
InChIKeyXVVOVFWXPIJLSY-VOTSOKGWSA-N
MW355.82 g/mol
LogP5.36
Rot. Bonds4

About (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide

(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide (PubChem CID 51370810) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
PubChem CID51370810
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)c(C)c3)oc12
InChIInChI=1S/C20H18ClNO3/c1-12-4-5-16(8-13(12)2)22-19(23)7-6-17-10-14-9-15(21)11-18(24-3)20(14)25-17/h4-11H,1-3H3,(H,22,23)/b7-6+
InChIKeyXVVOVFWXPIJLSY-VOTSOKGWSA-N
XLogP5.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
CID 17453511
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 24595962
(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide
CID 51370741
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
methyl 5-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24534717
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide (CID 51370810) is (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide is COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)c(C)c3)oc12.
What is the InChIKey of (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
The InChIKey is XVVOVFWXPIJLSY-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-12-4-5-16(8-13(12)2)22-19(23)7-6-17-10-14-9-15(21)11-18(24-3)20(14)25-17/h4-11H,1-3H3,(H,22,23)/b7-6+.
What are the key properties of (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide?
(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide has a molecular weight of 355.82 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 51370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).