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

C32H24F2N2O3 — CID 59275713

IUPAC2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3F)cc12
InChIInChI=1S/C32H24F2N2O3/c1-35-31(38)28-25-17-20(10-14-27(25)39-29(28)19-7-11-23(33)12-8-19)24-18-21(9-13-26(24)34)30(37)36-32(15-16-32)22-5-3-2-4-6-22/h2-14,17-18H,15-16H2,1H3,(H,35,38)(H,36,37)
InChIKeyUNRYSBVMMFBVLI-UHFFFAOYSA-N
MW522.55 g/mol
LogP6.82
Rot. Bonds6

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

2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275713) has the molecular formula C32H24F2N2O3 and a molecular weight of 522.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275713
Molecular FormulaC32H24F2N2O3
Molecular Weight522.55 g/mol
Exact Mass522.18
IUPAC Name2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3F)cc12
InChIInChI=1S/C32H24F2N2O3/c1-35-31(38)28-25-17-20(10-14-27(25)39-29(28)19-7-11-23(33)12-8-19)24-18-21(9-13-26(24)34)30(37)36-32(15-16-32)22-5-3-2-4-6-22/h2-14,17-18H,15-16H2,1H3,(H,35,38)(H,36,37)
InChIKeyUNRYSBVMMFBVLI-UHFFFAOYSA-N
XLogP6.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.55
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 59275713) is 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3F)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is UNRYSBVMMFBVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2N2O3/c1-35-31(38)28-25-17-20(10-14-27(25)39-29(28)19-7-11-23(33)12-8-19)24-18-21(9-13-26(24)34)30(37)36-32(15-16-32)22-5-3-2-4-6-22/h2-14,17-18H,15-16H2,1H3,(H,35,38)(H,36,37).
What are the key properties of 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 6.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).