2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide

C17H14BrNO3 — CID 10316448

IUPAC2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Br)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C17H14BrNO3/c1-19-17(20)15-13-9-12(21-2)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyKQBNGQUZSYJENL-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide

2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 10316448) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
PubChem CID10316448
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Br)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C17H14BrNO3/c1-19-17(20)15-13-9-12(21-2)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyKQBNGQUZSYJENL-UHFFFAOYSA-N
XLogP4.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
CID 26841548
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275153
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
tert-butyl N-[3-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]oxy]propyl]carbamate
CID 59275350
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
2-(4-fluorophenyl)-N-methyl-5-[4-(oxan-2-yloxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275605
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
CID 155702191

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide (CID 10316448) is 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(Br)cc2)oc2ccc(OC)cc12.
What is the InChIKey of 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is KQBNGQUZSYJENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-19-17(20)15-13-9-12(21-2)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide?
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10316448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).