N-(4-acetylphenyl)-2-bromofuran-3-carboxamide

C13H10BrNO3 — CID 106852251

IUPACN-(4-acetylphenyl)-2-bromofuran-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c1-8(16)9-2-4-10(5-3-9)15-13(17)11-6-7-18-12(11)14/h2-7H,1H3,(H,15,17)
InChIKeyKFKMHQROGGYHIJ-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.50
Rot. Bonds3

About N-(4-acetylphenyl)-2-bromofuran-3-carboxamide

N-(4-acetylphenyl)-2-bromofuran-3-carboxamide (PubChem CID 106852251) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-bromofuran-3-carboxamide
PubChem CID106852251
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC NameN-(4-acetylphenyl)-2-bromofuran-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c1-8(16)9-2-4-10(5-3-9)15-13(17)11-6-7-18-12(11)14/h2-7H,1H3,(H,15,17)
InChIKeyKFKMHQROGGYHIJ-UHFFFAOYSA-N
XLogP3.50
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
CID 106853025
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-bromofuran-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-bromofuran-3-carboxamide (CID 106852251) is N-(4-acetylphenyl)-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-bromofuran-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccoc2Br)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-bromofuran-3-carboxamide?
The InChIKey is KFKMHQROGGYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-8(16)9-2-4-10(5-3-9)15-13(17)11-6-7-18-12(11)14/h2-7H,1H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-2-bromofuran-3-carboxamide?
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide has a molecular weight of 308.13 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106852251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).