(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide

C19H16N2O3 — CID 35049946

IUPAC(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H16N2O3/c1-13(22)20-15-6-8-16(9-7-15)21-19(23)11-10-17-12-14-4-2-3-5-18(14)24-17/h2-12H,1H3,(H,20,22)(H,21,23)/b11-10+
InChIKeyONFQWLRNUZVDTR-ZHACJKMWSA-N
MW320.35 g/mol
LogP4.04
Rot. Bonds4

About (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide (PubChem CID 35049946) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
PubChem CID35049946
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H16N2O3/c1-13(22)20-15-6-8-16(9-7-15)21-19(23)11-10-17-12-14-4-2-3-5-18(14)24-17/h2-12H,1H3,(H,20,22)(H,21,23)/b11-10+
InChIKeyONFQWLRNUZVDTR-ZHACJKMWSA-N
XLogP4.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.04
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-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
CID 32840230
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
(E)-3-(1-benzofuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 35802231
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
N-[4-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17319117
(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
CID 18283459
methyl 2-[3-(1-benzofuran-2-yl)prop-2-enoylamino]-3-methylpentanoate
CID 78832923
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide (CID 35049946) is (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccccc3o2)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide?
The InChIKey is ONFQWLRNUZVDTR-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13(22)20-15-6-8-16(9-7-15)21-19(23)11-10-17-12-14-4-2-3-5-18(14)24-17/h2-12H,1H3,(H,20,22)(H,21,23)/b11-10+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide has a molecular weight of 320.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 35049946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).