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

C32H25FN2O3 — CID 59275461

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cc12
InChIInChI=1S/C32H25FN2O3/c1-34-31(37)28-26-19-22(12-15-27(26)38-29(28)20-10-13-25(33)14-11-20)21-6-5-7-23(18-21)30(36)35-32(16-17-32)24-8-3-2-4-9-24/h2-15,18-19H,16-17H2,1H3,(H,34,37)(H,35,36)
InChIKeyIWXRYBKPSLFLQF-UHFFFAOYSA-N
MW504.56 g/mol
LogP6.68
Rot. Bonds6

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

2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275461) has the molecular formula C32H25FN2O3 and a molecular weight of 504.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275461
Molecular FormulaC32H25FN2O3
Molecular Weight504.56 g/mol
Exact Mass504.18
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cc12
InChIInChI=1S/C32H25FN2O3/c1-34-31(37)28-26-19-22(12-15-27(26)38-29(28)20-10-13-25(33)14-11-20)21-6-5-7-23(18-21)30(36)35-32(16-17-32)24-8-3-2-4-9-24/h2-15,18-19H,16-17H2,1H3,(H,34,37)(H,35,36)
InChIKeyIWXRYBKPSLFLQF-UHFFFAOYSA-N
XLogP6.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 59275461) is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is IWXRYBKPSLFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN2O3/c1-34-31(37)28-26-19-22(12-15-27(26)38-29(28)20-10-13-25(33)14-11-20)21-6-5-7-23(18-21)30(36)35-32(16-17-32)24-8-3-2-4-9-24/h2-15,18-19H,16-17H2,1H3,(H,34,37)(H,35,36).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 504.56 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).