7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide

C17H11Cl2NO4 — CID 17423477

IUPAC7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2c(Cl)cccc12
InChIInChI=1S/C17H11Cl2NO4/c1-8-9-3-2-4-10(18)16(9)24-15(8)17(21)20-12-6-14-13(5-11(12)19)22-7-23-14/h2-6H,7H2,1H3,(H,20,21)
InChIKeyZCGZPKSZPQKHJS-UHFFFAOYSA-N
MW364.18 g/mol
LogP5.03
Rot. Bonds2

About 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17423477) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17423477
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC Name7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2c(Cl)cccc12
InChIInChI=1S/C17H11Cl2NO4/c1-8-9-3-2-4-10(18)16(9)24-15(8)17(21)20-12-6-14-13(5-11(12)19)22-7-23-14/h2-6H,7H2,1H3,(H,20,21)
InChIKeyZCGZPKSZPQKHJS-UHFFFAOYSA-N
XLogP5.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.18
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16547031
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 51278880

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 17423477) is 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZCGZPKSZPQKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c1-8-9-3-2-4-10(18)16(9)24-15(8)17(21)20-12-6-14-13(5-11(12)19)22-7-23-14/h2-6H,7H2,1H3,(H,20,21).
What are the key properties of 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 364.18 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17423477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).