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

C17H14BrNO3 — CID 51065520

IUPACN-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccccc3Br)c2c1
InChIInChI=1S/C17H14BrNO3/c1-10-16(12-9-11(21-2)7-8-15(12)22-10)17(20)19-14-6-4-3-5-13(14)18/h3-9H,1-2H3,(H,19,20)
InChIKeyPLZLFGZPQDOHAH-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.76
Rot. Bonds3

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

N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 51065520) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID51065520
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC NameN-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccccc3Br)c2c1
InChIInChI=1S/C17H14BrNO3/c1-10-16(12-9-11(21-2)7-8-15(12)22-10)17(20)19-14-6-4-3-5-13(14)18/h3-9H,1-2H3,(H,19,20)
InChIKeyPLZLFGZPQDOHAH-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 46971327
tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
CID 60558098
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 167770682
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 51065520) is N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)Nc3ccccc3Br)c2c1.
What is the InChIKey of N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is PLZLFGZPQDOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-10-16(12-9-11(21-2)7-8-15(12)22-10)17(20)19-14-6-4-3-5-13(14)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 51065520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).