N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide

C18H12ClNO4 — CID 8869966

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H12ClNO4/c19-13-4-2-1-3-12(13)14-7-8-16(24-14)18(21)20-11-5-6-15-17(9-11)23-10-22-15/h1-9H,10H2,(H,20,21)
InChIKeyDEFHNHYHFVKKKK-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.58
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide (PubChem CID 8869966) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
PubChem CID8869966
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H12ClNO4/c19-13-4-2-1-3-12(13)14-7-8-16(24-14)18(21)20-11-5-6-15-17(9-11)23-10-22-15/h1-9H,10H2,(H,20,21)
InChIKeyDEFHNHYHFVKKKK-UHFFFAOYSA-N
XLogP4.58
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391340
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
CID 96596349
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
1-N-(1,3-benzodioxol-5-yl)-1-N'-(2-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982481

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide (CID 8869966) is N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The InChIKey is DEFHNHYHFVKKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-13-4-2-1-3-12(13)14-7-8-16(24-14)18(21)20-11-5-6-15-17(9-11)23-10-22-15/h1-9H,10H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 8869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).