5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H24FN3O2 — CID 59275233

IUPAC5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4ccnn4Cc4ccccc4)c3)cc12
InChIInChI=1S/C32H24FN3O2/c1-34-32(37)30-27-19-24(12-15-29(27)38-31(30)22-10-13-26(33)14-11-22)23-8-5-9-25(18-23)28-16-17-35-36(28)20-21-6-3-2-4-7-21/h2-19H,20H2,1H3,(H,34,37)
InChIKeyJNSWYMIHZYWWRW-UHFFFAOYSA-N
MW501.56 g/mol
LogP7.18
Rot. Bonds6

About 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275233) has the molecular formula C32H24FN3O2 and a molecular weight of 501.56 g/mol. Its IUPAC name is 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275233
Molecular FormulaC32H24FN3O2
Molecular Weight501.56 g/mol
Exact Mass501.19
IUPAC Name5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4ccnn4Cc4ccccc4)c3)cc12
InChIInChI=1S/C32H24FN3O2/c1-34-32(37)30-27-19-24(12-15-29(27)38-31(30)22-10-13-26(33)14-11-22)23-8-5-9-25(18-23)28-16-17-35-36(28)20-21-6-3-2-4-7-21/h2-19H,20H2,1H3,(H,34,37)
InChIKeyJNSWYMIHZYWWRW-UHFFFAOYSA-N
XLogP7.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-methyl-5-[3-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275721
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
ethane;5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956901
2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275277
2-[3-[[3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoyl]amino]phenyl]acetic acid
CID 59275256
2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275235
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1-phenylcyclopropyl)acetyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472686
5-[3-(4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 91052600
2-(4-fluorophenyl)-5-[3-[[1-(hydroxymethyl)cyclopentyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275497
2-(4-fluorophenyl)-N-methyl-5-[3-(3-methylbutylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275255
2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472649

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 59275233) is 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4ccnn4Cc4ccccc4)c3)cc12.
What is the InChIKey of 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is JNSWYMIHZYWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN3O2/c1-34-32(37)30-27-19-24(12-15-29(27)38-31(30)22-10-13-26(33)14-11-22)23-8-5-9-25(18-23)28-16-17-35-36(28)20-21-6-3-2-4-7-21/h2-19H,20H2,1H3,(H,34,37).
What are the key properties of 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-benzylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).