(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

C20H18BrNO2 — CID 51370941

IUPAC(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Br)ccc2o1
InChIInChI=1S/C20H18BrNO2/c1-3-14-6-4-5-13(2)20(14)22-19(23)10-8-17-12-15-11-16(21)7-9-18(15)24-17/h4-12H,3H2,1-2H3,(H,22,23)/b10-8+
InChIKeyNSFSXHILLIITCR-CSKARUKUSA-N
MW384.27 g/mol
LogP5.72
Rot. Bonds4

About (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (PubChem CID 51370941) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
PubChem CID51370941
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Br)ccc2o1
InChIInChI=1S/C20H18BrNO2/c1-3-14-6-4-5-13(2)20(14)22-19(23)10-8-17-12-15-11-16(21)7-9-18(15)24-17/h4-12H,3H2,1-2H3,(H,22,23)/b10-8+
InChIKeyNSFSXHILLIITCR-CSKARUKUSA-N
XLogP5.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 51370775
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 51370786
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
CID 51370939
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2207552
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 8015224

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (CID 51370941) is (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Br)ccc2o1.
What is the InChIKey of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The InChIKey is NSFSXHILLIITCR-CSKARUKUSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-3-14-6-4-5-13(2)20(14)22-19(23)10-8-17-12-15-11-16(21)7-9-18(15)24-17/h4-12H,3H2,1-2H3,(H,22,23)/b10-8+.
What are the key properties of (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide has a molecular weight of 384.27 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 51370941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).