3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide

C19H16BrNO4 — CID 28667412

IUPAC3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2)cc1-c1ccc(CO)o1
InChIInChI=1S/C19H16BrNO4/c1-24-17-7-5-14(10-16(17)18-8-6-15(11-22)25-18)21-19(23)12-3-2-4-13(20)9-12/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyIVTFQAMQYDVETH-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.46
Rot. Bonds5

About 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide

3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide (PubChem CID 28667412) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
PubChem CID28667412
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2)cc1-c1ccc(CO)o1
InChIInChI=1S/C19H16BrNO4/c1-24-17-7-5-14(10-16(17)18-8-6-15(11-22)25-18)21-19(23)12-3-2-4-13(20)9-12/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyIVTFQAMQYDVETH-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

3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687116
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
4-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687236
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
CID 28677251

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide (CID 28667412) is 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2cccc(Br)c2)cc1-c1ccc(CO)o1.
What is the InChIKey of 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The InChIKey is IVTFQAMQYDVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-24-17-7-5-14(10-16(17)18-8-6-15(11-22)25-18)21-19(23)12-3-2-4-13(20)9-12/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-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 3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 28667412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).