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

C16H12BrNO3 — CID 51432230

IUPACN-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2c1
InChIInChI=1S/C16H12BrNO3/c1-20-13-5-6-14-10(7-13)8-15(21-14)16(19)18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,18,19)
InChIKeyRTFOBRLQZOFWOX-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.46
Rot. Bonds3

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

N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide (PubChem CID 51432230) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
PubChem CID51432230
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC NameN-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2c1
InChIInChI=1S/C16H12BrNO3/c1-20-13-5-6-14-10(7-13)8-15(21-14)16(19)18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,18,19)
InChIKeyRTFOBRLQZOFWOX-UHFFFAOYSA-N
XLogP4.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55782296
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 90854337
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide (CID 51432230) is N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2c1.
What is the InChIKey of N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is RTFOBRLQZOFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-20-13-5-6-14-10(7-13)8-15(21-14)16(19)18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide?
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).