N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide

C12H9BrClNO2 — CID 81271612

IUPACN-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClNO2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-6H,1H3,(H,15,16)
InChIKeyHXZJHHXJMIBUTI-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.26
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide

N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 81271612) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID81271612
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H9BrClNO2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-6H,1H3,(H,15,16)
InChIKeyHXZJHHXJMIBUTI-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chlorophenyl)-2-methylfuran-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

N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide (CID 81271612) is N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is HXZJHHXJMIBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-6H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide?
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 81271612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).