4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

C18H16BrNO3 — CID 112529275

IUPAC4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2c(Br)cccc2o1
InChIInChI=1S/C18H16BrNO3/c1-22-15-7-3-2-5-12(15)9-10-20-18(21)17-11-13-14(19)6-4-8-16(13)23-17/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyHMQXXXAWCVXCMB-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.18
Rot. Bonds5

About 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 112529275) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID112529275
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2c(Br)cccc2o1
InChIInChI=1S/C18H16BrNO3/c1-22-15-7-3-2-5-12(15)9-10-20-18(21)17-11-13-14(19)6-4-8-16(13)23-17/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyHMQXXXAWCVXCMB-UHFFFAOYSA-N
XLogP4.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-oxoisochromene-3-carboxamide
CID 172905649
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
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CID 107261354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 112529275) is 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1ccccc1CCNC(=O)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is HMQXXXAWCVXCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-22-15-7-3-2-5-12(15)9-10-20-18(21)17-11-13-14(19)6-4-8-16(13)23-17/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).