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

C20H16ClN3O2 — CID 55674253

IUPAC7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O2/c1-13-15-7-4-8-16(21)19(15)26-18(13)20(25)23-17-9-3-2-6-14(17)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeySBDHYYJUMVCSIE-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.89
Rot. Bonds4

About 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55674253) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55674253
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2c(Cl)cccc12
InChIInChI=1S/C20H16ClN3O2/c1-13-15-7-4-8-16(21)19(15)26-18(13)20(25)23-17-9-3-2-6-14(17)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeySBDHYYJUMVCSIE-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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Related Compounds

5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297
7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 134021312
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 39696095
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55674016
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 55674253) is 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SBDHYYJUMVCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-15-7-4-8-16(21)19(15)26-18(13)20(25)23-17-9-3-2-6-14(17)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
7-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 7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55674253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).