4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

C19H16BrNO4 — CID 28667739

IUPAC4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO4/c1-24-18-8-4-13(17-9-7-15(11-22)25-17)10-16(18)21-19(23)12-2-5-14(20)6-3-12/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyOYZCBBPJXOZWCS-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.46
Rot. Bonds5

About 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (PubChem CID 28667739) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
PubChem CID28667739
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO4/c1-24-18-8-4-13(17-9-7-15(11-22)25-17)10-16(18)21-19(23)12-2-5-14(20)6-3-12/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyOYZCBBPJXOZWCS-UHFFFAOYSA-N
XLogP4.46
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28672946
3,5-dibromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2-iodobenzamide
CID 43866247
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
4-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687236
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The IUPAC name of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (CID 28667739) is 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The InChIKey is OYZCBBPJXOZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-24-18-8-4-13(17-9-7-15(11-22)25-17)10-16(18)21-19(23)12-2-5-14(20)6-3-12/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide has a molecular weight of 402.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 28667739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).