N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide

C13H11Cl2NO2 — CID 16648725

IUPACN-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H11Cl2NO2/c1-7-5-10(8(2)18-7)13(17)16-12-6-9(14)3-4-11(12)15/h3-6H,1-2H3,(H,16,17)
InChIKeyBRZDLGGEOLWVFC-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.46
Rot. Bonds2

About N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide

N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 16648725) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID16648725
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC NameN-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H11Cl2NO2/c1-7-5-10(8(2)18-7)13(17)16-12-6-9(14)3-4-11(12)15/h3-6H,1-2H3,(H,16,17)
InChIKeyBRZDLGGEOLWVFC-UHFFFAOYSA-N
XLogP4.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide (CID 16648725) is N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BRZDLGGEOLWVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-7-5-10(8(2)18-7)13(17)16-12-6-9(14)3-4-11(12)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide?
N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 284.14 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 16648725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).