N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide

C14H13BrN2O3 — CID 106852888

IUPACN-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C14H13BrN2O3/c1-9(18)17-11-4-2-10(3-5-11)8-16-14(19)12-6-7-20-13(12)15/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCUSXAFWCPXBGJ-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.93
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide

N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide (PubChem CID 106852888) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
PubChem CID106852888
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C14H13BrN2O3/c1-9(18)17-11-4-2-10(3-5-11)8-16-14(19)12-6-7-20-13(12)15/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCUSXAFWCPXBGJ-UHFFFAOYSA-N
XLogP2.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide (CID 106852888) is N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2ccoc2Br)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide?
The InChIKey is HCUSXAFWCPXBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-9(18)17-11-4-2-10(3-5-11)8-16-14(19)12-6-7-20-13(12)15/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106852888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).