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

C20H16FN3O2 — CID 39696095

IUPAC7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)oc2c(F)cccc12
InChIInChI=1S/C20H16FN3O2/c1-13-16-7-3-8-17(21)19(16)26-18(13)20(25)23-15-6-2-5-14(11-15)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyGCICJYXRRGRTIK-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.38
Rot. Bonds4

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

7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 39696095) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID39696095
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)oc2c(F)cccc12
InChIInChI=1S/C20H16FN3O2/c1-13-16-7-3-8-17(21)19(16)26-18(13)20(25)23-15-6-2-5-14(11-15)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyGCICJYXRRGRTIK-UHFFFAOYSA-N
XLogP4.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
CID 46424384
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 37052931
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 39696095) is 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(Cn3cccn3)c2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GCICJYXRRGRTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13-16-7-3-8-17(21)19(16)26-18(13)20(25)23-15-6-2-5-14(11-15)12-24-10-4-9-22-24/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39696095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).