N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide

C14H13BrN2O3 — CID 60764727

IUPACN-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-3-4-10(16-9(2)18)7-11(8)17-14(19)12-5-6-13(15)20-12/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyLYHBXDIXQBJQQM-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.56
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide

N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide (PubChem CID 60764727) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
PubChem CID60764727
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-3-4-10(16-9(2)18)7-11(8)17-14(19)12-5-6-13(15)20-12/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyLYHBXDIXQBJQQM-UHFFFAOYSA-N
XLogP3.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
CID 86994844
N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
CID 46474246
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide (CID 60764727) is N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide?
The InChIKey is LYHBXDIXQBJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-3-4-10(16-9(2)18)7-11(8)17-14(19)12-5-6-13(15)20-12/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide?
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 60764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).