2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide

C24H18BrNO4 — CID 18847905

IUPAC2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H18BrNO4/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(18-8-4-6-10-20(18)30-23)26-24(28)17-7-3-5-9-19(17)25/h3-14H,2H2,1H3,(H,26,28)
InChIKeyYONYABCJIDUCBA-UHFFFAOYSA-N
MW464.32 g/mol
LogP6.08
Rot. Bonds6

About 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide

2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18847905) has the molecular formula C24H18BrNO4 and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18847905
Molecular FormulaC24H18BrNO4
Molecular Weight464.32 g/mol
Exact Mass463.04
IUPAC Name2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H18BrNO4/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(18-8-4-6-10-20(18)30-23)26-24(28)17-7-3-5-9-19(17)25/h3-14H,2H2,1H3,(H,26,28)
InChIKeyYONYABCJIDUCBA-UHFFFAOYSA-N
XLogP6.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785419
3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
CID 19245179

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 18847905) is 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is YONYABCJIDUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO4/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(18-8-4-6-10-20(18)30-23)26-24(28)17-7-3-5-9-19(17)25/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 464.32 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18847905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).