5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

C20H16ClN3O2 — CID 55674048

IUPAC5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O2/c1-13-16-11-15(21)7-8-18(16)26-19(13)20(25)23-17-6-3-2-5-14(17)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyWNJRPFKXDYPJNL-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.89
Rot. Bonds4

About 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55674048) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55674048
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O2/c1-13-16-11-15(21)7-8-18(16)26-19(13)20(25)23-17-6-3-2-5-14(17)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyWNJRPFKXDYPJNL-UHFFFAOYSA-N
XLogP4.89
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 55674048) is 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WNJRPFKXDYPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-16-11-15(21)7-8-18(16)26-19(13)20(25)23-17-6-3-2-5-14(17)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55674048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).