3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

C24H17BrClNO3 — CID 73002591

IUPAC3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C=C(c2ccc(Cl)cc2)c2cc3cc(Br)ccc3o2)c1
InChIInChI=1S/C24H17BrClNO3/c1-29-20-4-2-3-19(13-20)27-24(28)14-21(15-5-8-18(26)9-6-15)23-12-16-11-17(25)7-10-22(16)30-23/h2-14H,1H3,(H,27,28)
InChIKeyIURUPUXHIHKBLN-UHFFFAOYSA-N
MW482.76 g/mol
LogP6.93
Rot. Bonds5

About 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 73002591) has the molecular formula C24H17BrClNO3 and a molecular weight of 482.76 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID73002591
Molecular FormulaC24H17BrClNO3
Molecular Weight482.76 g/mol
Exact Mass481.01
IUPAC Name3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C=C(c2ccc(Cl)cc2)c2cc3cc(Br)ccc3o2)c1
InChIInChI=1S/C24H17BrClNO3/c1-29-20-4-2-3-19(13-20)27-24(28)14-21(15-5-8-18(26)9-6-15)23-12-16-11-17(25)7-10-22(16)30-23/h2-14H,1H3,(H,27,28)
InChIKeyIURUPUXHIHKBLN-UHFFFAOYSA-N
XLogP6.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
[4-[(4-chlorophenyl)carbamoyl]phenyl] 5-bromo-1-benzofuran-2-carboxylate
CID 19225501
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55782296
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide
CID 69072127
[4-bromo-2-[[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3846996
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (CID 73002591) is 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)C=C(c2ccc(Cl)cc2)c2cc3cc(Br)ccc3o2)c1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is IURUPUXHIHKBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClNO3/c1-29-20-4-2-3-19(13-20)27-24(28)14-21(15-5-8-18(26)9-6-15)23-12-16-11-17(25)7-10-22(16)30-23/h2-14H,1H3,(H,27,28).
What are the key properties of 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 482.76 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-yl)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 73002591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).