2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide

C12H8Cl3NO2 — CID 106685178

IUPAC2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO2/c1-6-2-3-8(13)10(9(6)14)16-12(17)7-4-5-18-11(7)15/h2-5H,1H3,(H,16,17)
InChIKeySGRSVVYJVMLFHG-UHFFFAOYSA-N
MW304.56 g/mol
LogP4.80
Rot. Bonds2

About 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide

2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide (PubChem CID 106685178) has the molecular formula C12H8Cl3NO2 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
PubChem CID106685178
Molecular FormulaC12H8Cl3NO2
Molecular Weight304.56 g/mol
Exact Mass302.96
IUPAC Name2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO2/c1-6-2-3-8(13)10(9(6)14)16-12(17)7-4-5-18-11(7)15/h2-5H,1H3,(H,16,17)
InChIKeySGRSVVYJVMLFHG-UHFFFAOYSA-N
XLogP4.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186267
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
CID 107019931
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide (CID 106685178) is 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide is Cc1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide?
The InChIKey is SGRSVVYJVMLFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO2/c1-6-2-3-8(13)10(9(6)14)16-12(17)7-4-5-18-11(7)15/h2-5H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide?
2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide has a molecular weight of 304.56 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106685178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).