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

C13H12BrNO2 — CID 114820906

IUPACN-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)co1
InChIInChI=1S/C13H12BrNO2/c1-8-4-3-5-11(12(8)14)15-13(16)10-6-9(2)17-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyBPLLGUYOANUMNL-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.91
Rot. Bonds2

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

N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide (PubChem CID 114820906) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
PubChem CID114820906
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC NameN-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)co1
InChIInChI=1S/C13H12BrNO2/c1-8-4-3-5-11(12(8)14)15-13(16)10-6-9(2)17-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyBPLLGUYOANUMNL-UHFFFAOYSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-3-methylphenyl)-5-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-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114820853
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
5-methyl-N-[2-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 114819295
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide (CID 114820906) is N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2Br)co1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The InChIKey is BPLLGUYOANUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-8-4-3-5-11(12(8)14)15-13(16)10-6-9(2)17-7-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).