N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide

C13H12BrNO2 — CID 114820847

IUPACN-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(C)c2)co1
InChIInChI=1S/C13H12BrNO2/c1-8-5-11(3-4-12(8)14)15-13(16)10-6-9(2)17-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyKCGWDIMLGWYQFA-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.91
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide (PubChem CID 114820847) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
PubChem CID114820847
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC NameN-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(C)c2)co1
InChIInChI=1S/C13H12BrNO2/c1-8-5-11(3-4-12(8)14)15-13(16)10-6-9(2)17-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyKCGWDIMLGWYQFA-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

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Related Compounds

N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide (CID 114820847) is N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)co1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
The InChIKey is KCGWDIMLGWYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-8-5-11(3-4-12(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-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide?
N-(4-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-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).