4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide

C18H15ClN2O3 — CID 72690281

IUPAC4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-4-3-13(18(20)23)10-15(14)21-17(22)6-2-11-1-5-16-12(9-11)7-8-24-16/h1-6,9-10H,7-8H2,(H2,20,23)(H,21,22)
InChIKeyUVSWDWKGDQVTQJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide

4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide (PubChem CID 72690281) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide
PubChem CID72690281
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-4-3-13(18(20)23)10-15(14)21-17(22)6-2-11-1-5-16-12(9-11)7-8-24-16/h1-6,9-10H,7-8H2,(H2,20,23)(H,21,22)
InChIKeyUVSWDWKGDQVTQJ-UHFFFAOYSA-N
XLogP3.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368829
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180
3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614118
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
CID 24632241
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
CID 43402766
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide?
The IUPAC name of 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide (CID 72690281) is 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide?
The canonical SMILES for 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide is NC(=O)c1ccc(Cl)c(NC(=O)C=Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide?
The InChIKey is UVSWDWKGDQVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-4-3-13(18(20)23)10-15(14)21-17(22)6-2-11-1-5-16-12(9-11)7-8-24-16/h1-6,9-10H,7-8H2,(H2,20,23)(H,21,22).
What are the key properties of 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide?
4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide has a molecular weight of 342.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 72690281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).