N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide

C13H12ClNO2 — CID 731667

IUPACN-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-8-6-9(2)12(10(14)7-8)15-13(16)11-4-3-5-17-11/h3-7H,1-2H3,(H,15,16)
InChIKeyQYOSWJLNLNRAON-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.80
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide (PubChem CID 731667) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide
PubChem CID731667
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-8-6-9(2)12(10(14)7-8)15-13(16)11-4-3-5-17-11/h3-7H,1-2H3,(H,15,16)
InChIKeyQYOSWJLNLNRAON-UHFFFAOYSA-N
XLogP3.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide (CID 731667) is N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide?
The InChIKey is QYOSWJLNLNRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-6-9(2)12(10(14)7-8)15-13(16)11-4-3-5-17-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 731667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).