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

C32H25F2N3O3 — CID 91258886

IUPAC5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCc1cc(F)c(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C32H25F2N3O3/c1-18-14-25(34)23(31(39)37-32(11-12-32)28-4-2-3-13-36-28)17-22(18)20-7-10-26-24(16-20)29(30(35)38)27(40-26)15-19-5-8-21(33)9-6-19/h2-10,13-14,16-17H,11-12,15H2,1H3,(H2,35,38)(H,37,39)
InChIKeyYRFCGQDIPNBUOH-UHFFFAOYSA-N
MW537.57 g/mol
LogP6.19
Rot. Bonds7

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

5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 91258886) has the molecular formula C32H25F2N3O3 and a molecular weight of 537.57 g/mol. Its IUPAC name is 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
PubChem CID91258886
Molecular FormulaC32H25F2N3O3
Molecular Weight537.57 g/mol
Exact Mass537.19
IUPAC Name5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCc1cc(F)c(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C32H25F2N3O3/c1-18-14-25(34)23(31(39)37-32(11-12-32)28-4-2-3-13-36-28)17-22(18)20-7-10-26-24(16-20)29(30(35)38)27(40-26)15-19-5-8-21(33)9-6-19/h2-10,13-14,16-17H,11-12,15H2,1H3,(H2,35,38)(H,37,39)
InChIKeyYRFCGQDIPNBUOH-UHFFFAOYSA-N
XLogP6.19
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-amino-2-oxoethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91277140
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-4-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 90816257
2-[(4-fluorophenyl)methyl]-5-[2-methyl-4-(oxolan-3-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91279194
2-[(4-fluorophenyl)methyl]-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91473495
2-[(4-fluorophenyl)methyl]-5-[2-methyl-3-phenylmethoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 90914906
5-[2-cyclopropyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90935583
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 123186297
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91512542
5-[4-cyclobutyloxy-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472870
2-(4-fluorophenyl)-5-[[2-methyl-4-(3-methylbutoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]methyl]-1-benzofuran-3-carboxamide
CID 91556630
2-(4-fluorophenyl)-5-[[4-[2-(4-methoxyphenyl)ethoxy]-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]methyl]-1-benzofuran-3-carboxamide
CID 91093316
5-[5-[[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopropyl]carbamoyl]-2-methylphenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90763506

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide (CID 91258886) is 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide is Cc1cc(F)c(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1.
What is the InChIKey of 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is YRFCGQDIPNBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N3O3/c1-18-14-25(34)23(31(39)37-32(11-12-32)28-4-2-3-13-36-28)17-22(18)20-7-10-26-24(16-20)29(30(35)38)27(40-26)15-19-5-8-21(33)9-6-19/h2-10,13-14,16-17H,11-12,15H2,1H3,(H2,35,38)(H,37,39).
What are the key properties of 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 537.57 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91258886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).