N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide

C16H10ClF2NO2 — CID 166230087

IUPACN-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)Nc1ccc(Cl)c2ccoc12
InChIInChI=1S/C16H10ClF2NO2/c17-11-4-5-13(16-10(11)6-7-22-16)20-14(21)8-9-2-1-3-12(18)15(9)19/h1-7H,8H2,(H,20,21)
InChIKeyWMLXJTFFTYCATR-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.55
Rot. Bonds3

About N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide

N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 166230087) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide
PubChem CID166230087
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC NameN-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)Nc1ccc(Cl)c2ccoc12
InChIInChI=1S/C16H10ClF2NO2/c17-11-4-5-13(16-10(11)6-7-22-16)20-14(21)8-9-2-1-3-12(18)15(9)19/h1-7H,8H2,(H,20,21)
InChIKeyWMLXJTFFTYCATR-UHFFFAOYSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide (CID 166230087) is N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide is O=C(Cc1cccc(F)c1F)Nc1ccc(Cl)c2ccoc12.
What is the InChIKey of N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is WMLXJTFFTYCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-11-4-5-13(16-10(11)6-7-22-16)20-14(21)8-9-2-1-3-12(18)15(9)19/h1-7H,8H2,(H,20,21).
What are the key properties of N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide?
N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 321.71 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-benzofuran-7-yl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 166230087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).