5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

C15H11ClN2O2 — CID 17489989

IUPAC5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-11-3-2-6-17-8-11/h2-8H,1H3,(H,18,19)
InChIKeyUDWQZAJTWFBMGV-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.04
Rot. Bonds2

About 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 17489989) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
PubChem CID17489989
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-11-3-2-6-17-8-11/h2-8H,1H3,(H,18,19)
InChIKeyUDWQZAJTWFBMGV-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 852703
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013415
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
3-methyl-N-(pyridin-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 741784
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 18284969
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (CID 17489989) is 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccnc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is UDWQZAJTWFBMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-11-3-2-6-17-8-11/h2-8H,1H3,(H,18,19).
What are the key properties of 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17489989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).