4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide

C23H15BrClNO3 — CID 18568645

IUPAC4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C23H15BrClNO3/c1-13-19-11-10-18(26-23(28)15-2-6-16(24)7-3-15)12-20(19)29-22(13)21(27)14-4-8-17(25)9-5-14/h2-12H,1H3,(H,26,28)
InChIKeyYQLDJGFVPGKUQC-UHFFFAOYSA-N
MW468.73 g/mol
LogP6.64
Rot. Bonds4

About 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide

4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide (PubChem CID 18568645) has the molecular formula C23H15BrClNO3 and a molecular weight of 468.73 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
PubChem CID18568645
Molecular FormulaC23H15BrClNO3
Molecular Weight468.73 g/mol
Exact Mass466.99
IUPAC Name4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C23H15BrClNO3/c1-13-19-11-10-18(26-23(28)15-2-6-16(24)7-3-15)12-20(19)29-22(13)21(27)14-4-8-17(25)9-5-14/h2-12H,1H3,(H,26,28)
InChIKeyYQLDJGFVPGKUQC-UHFFFAOYSA-N
XLogP6.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
2-[[3-methyl-2-(4-phenylbenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid
CID 19417828
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide (CID 18568645) is 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide is Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12.
What is the InChIKey of 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide?
The InChIKey is YQLDJGFVPGKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClNO3/c1-13-19-11-10-18(26-23(28)15-2-6-16(24)7-3-15)12-20(19)29-22(13)21(27)14-4-8-17(25)9-5-14/h2-12H,1H3,(H,26,28).
What are the key properties of 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide?
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide has a molecular weight of 468.73 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide is sourced from PubChem (CID 18568645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).