2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide

C12H9BrClNO2 — CID 106852538

IUPAC2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccoc1Br
InChIInChI=1S/C12H9BrClNO2/c13-11-10(5-6-17-11)12(16)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyGCRWJOMKLXFXTB-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.63
Rot. Bonds3

About 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide

2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide (PubChem CID 106852538) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
PubChem CID106852538
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccoc1Br
InChIInChI=1S/C12H9BrClNO2/c13-11-10(5-6-17-11)12(16)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyGCRWJOMKLXFXTB-UHFFFAOYSA-N
XLogP3.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-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

2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498719
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide (CID 106852538) is 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide?
The InChIKey is GCRWJOMKLXFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-11-10(5-6-17-11)12(16)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16).
What are the key properties of 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide?
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106852538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).