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

C30H23FN2O3 — CID 53468850

IUPAC5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc12
InChIInChI=1S/C30H23FN2O3/c1-32-30(35)27-25-17-22(12-15-26(25)36-28(27)20-10-13-24(31)14-11-20)21-8-5-9-23(16-21)29(34)33-18-19-6-3-2-4-7-19/h2-17H,18H2,1H3,(H,32,35)(H,33,34)
InChIKeyGQVQWBLBTGNWAL-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.20
Rot. Bonds6

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

5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 53468850) has the molecular formula C30H23FN2O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID53468850
Molecular FormulaC30H23FN2O3
Molecular Weight478.52 g/mol
Exact Mass478.17
IUPAC Name5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc12
InChIInChI=1S/C30H23FN2O3/c1-32-30(35)27-25-17-22(12-15-26(25)36-28(27)20-10-13-24(31)14-11-20)21-8-5-9-23(16-21)29(34)33-18-19-6-3-2-4-7-19/h2-17H,18H2,1H3,(H,32,35)(H,33,34)
InChIKeyGQVQWBLBTGNWAL-UHFFFAOYSA-N
XLogP6.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
Mefuparib
CID 71488522
3-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275424
N-[2-(2-Benzyl-5-ethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 10969292
2-(4-fluorophenyl)-N-methyl-5-[3-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 53468460
5-[3-[tert-butyl(methyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468654
4-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275156
2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275174
5-[4-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275280
5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275345
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275461

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 53468850) is 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc12.
What is the InChIKey of 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GQVQWBLBTGNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O3/c1-32-30(35)27-25-17-22(12-15-26(25)36-28(27)20-10-13-24(31)14-11-20)21-8-5-9-23(16-21)29(34)33-18-19-6-3-2-4-7-19/h2-17H,18H2,1H3,(H,32,35)(H,33,34).
What are the key properties of 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53468850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).