5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide

C16H13ClN2O3 — CID 99818760

IUPAC5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H13ClN2O3/c1-9-5-15(20)19(2)8-12(9)18-16(21)14-7-10-6-11(17)3-4-13(10)22-14/h3-8H,1-2H3,(H,18,21)
InChIKeyZMYUPNWJGRGIDW-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide

5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 99818760) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID99818760
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H13ClN2O3/c1-9-5-15(20)19(2)8-12(9)18-16(21)14-7-10-6-11(17)3-4-13(10)22-14/h3-8H,1-2H3,(H,18,21)
InChIKeyZMYUPNWJGRGIDW-UHFFFAOYSA-N
XLogP3.35
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 22620279
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26812074
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 46485499
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 99818760) is 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide is Cc1cc(=O)n(C)cc1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZMYUPNWJGRGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-9-5-15(20)19(2)8-12(9)18-16(21)14-7-10-6-11(17)3-4-13(10)22-14/h3-8H,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99818760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).