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

C19H16BrNO3 — CID 28667730

IUPAC4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-12-2-3-14(18-9-8-16(11-22)24-18)10-17(12)21-19(23)13-4-6-15(20)7-5-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyATTQBLAQSXLXEO-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.76
Rot. Bonds4

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

4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide (PubChem CID 28667730) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
PubChem CID28667730
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-12-2-3-14(18-9-8-16(11-22)24-18)10-17(12)21-19(23)13-4-6-15(20)7-5-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyATTQBLAQSXLXEO-UHFFFAOYSA-N
XLogP4.76
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]pyridine-3-carboxamide
CID 28675294
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671045
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
4-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687208
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide?
The IUPAC name of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide (CID 28667730) is 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide?
The InChIKey is ATTQBLAQSXLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-12-2-3-14(18-9-8-16(11-22)24-18)10-17(12)21-19(23)13-4-6-15(20)7-5-13/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide?
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 28667730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).