3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide

C22H17ClN2O2 — CID 67905346

IUPAC3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide
SMILESCc1ccc2c(C(=O)NCc3cccnc3)oc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-4-9-18-19(11-14)20(16-5-7-17(23)8-6-16)27-21(18)22(26)25-13-15-3-2-10-24-12-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyCTGDODVQIHXXLF-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.39
Rot. Bonds4

About 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide

3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide (PubChem CID 67905346) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide
PubChem CID67905346
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide
SMILESCc1ccc2c(C(=O)NCc3cccnc3)oc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-4-9-18-19(11-14)20(16-5-7-17(23)8-6-16)27-21(18)22(26)25-13-15-3-2-10-24-12-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyCTGDODVQIHXXLF-UHFFFAOYSA-N
XLogP5.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
5-(4-chlorophenyl)-N-(pyridin-3-yl)furan-2-carboxamide
CID 780278
5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 800465
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 53475321
5-ethyl-3-methyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 852715
3,6,6-trimethyl-4-oxo-N-(pyridin-3-ylmethyl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 972338
3,5,6-trimethyl-N-(pyridin-3-yl)-1-benzofuran-2-carboxamide
CID 975512
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 1071266
5-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2885301
N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3615142

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide (CID 67905346) is 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide is Cc1ccc2c(C(=O)NCc3cccnc3)oc(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide?
The InChIKey is CTGDODVQIHXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-14-4-9-18-19(11-14)20(16-5-7-17(23)8-6-16)27-21(18)22(26)25-13-15-3-2-10-24-12-15/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide?
3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 67905346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).