5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide

C13H10Cl2N2O3 — CID 110699992

IUPAC5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H10Cl2N2O3/c1-7(18)16-12-5-4-11(20-12)13(19)17-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyXBDFEAFZIGHVGL-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.80
Rot. Bonds3

About 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide

5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 110699992) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID110699992
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H10Cl2N2O3/c1-7(18)16-12-5-4-11(20-12)13(19)17-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyXBDFEAFZIGHVGL-UHFFFAOYSA-N
XLogP3.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
CID 110700002
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
5-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)furan-2-carboxamide
CID 110699998
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 2977549
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide (CID 110699992) is 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is XBDFEAFZIGHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-7(18)16-12-5-4-11(20-12)13(19)17-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide?
5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 110699992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).