7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C17H14BrNO3 — CID 39709859

IUPAC7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H14BrNO3/c1-21-14-8-3-2-5-12(14)10-19-17(20)15-9-11-6-4-7-13(18)16(11)22-15/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCOTVADQYGNMNAA-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.13
Rot. Bonds4

About 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 39709859) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID39709859
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H14BrNO3/c1-21-14-8-3-2-5-12(14)10-19-17(20)15-9-11-6-4-7-13(18)16(11)22-15/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCOTVADQYGNMNAA-UHFFFAOYSA-N
XLogP4.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 39709859) is 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1ccccc1CNC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is COTVADQYGNMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-21-14-8-3-2-5-12(14)10-19-17(20)15-9-11-6-4-7-13(18)16(11)22-15/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39709859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).