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

C33H27FN2O4 — CID 59275570

IUPAC2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3OC)cc12
InChIInChI=1S/C33H27FN2O4/c1-35-32(38)29-26-18-21(10-15-28(26)40-30(29)20-8-12-24(34)13-9-20)25-19-22(11-14-27(25)39-2)31(37)36-33(16-17-33)23-6-4-3-5-7-23/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
InChIKeyCANOGQFQVMYROU-UHFFFAOYSA-N
MW534.59 g/mol
LogP6.69
Rot. Bonds7

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

2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275570) has the molecular formula C33H27FN2O4 and a molecular weight of 534.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275570
Molecular FormulaC33H27FN2O4
Molecular Weight534.59 g/mol
Exact Mass534.20
IUPAC Name2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3OC)cc12
InChIInChI=1S/C33H27FN2O4/c1-35-32(38)29-26-18-21(10-15-28(26)40-30(29)20-8-12-24(34)13-9-20)25-19-22(11-14-27(25)39-2)31(37)36-33(16-17-33)23-6-4-3-5-7-23/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
InChIKeyCANOGQFQVMYROU-UHFFFAOYSA-N
XLogP6.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.59
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 59275570) is 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-methoxy-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)ccc3OC)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is CANOGQFQVMYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN2O4/c1-35-32(38)29-26-18-21(10-15-28(26)40-30(29)20-8-12-24(34)13-9-20)25-19-22(11-14-27(25)39-2)31(37)36-33(16-17-33)23-6-4-3-5-7-23/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37).
What are the key properties of 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 534.59 g/mol, XLogP of 6.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-methoxy-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).