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

C38H37FN4O5 — CID 58472733

IUPAC2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OCCN4CCOCC4)cc3C)cc12
InChIInChI=1S/C38H37FN4O5/c1-24-21-32(47-20-17-43-15-18-46-19-16-43)30(36(44)42-38(12-13-38)33-5-3-4-14-41-33)23-28(24)26-8-11-31-29(22-26)34(37(45)40-2)35(48-31)25-6-9-27(39)10-7-25/h3-11,14,21-23H,12-13,15-20H2,1-2H3,(H,40,45)(H,42,44)
InChIKeyYNMFKJJVNGJAJF-UHFFFAOYSA-N
MW648.74 g/mol
LogP6.10
Rot. Bonds10

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

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 58472733) has the molecular formula C38H37FN4O5 and a molecular weight of 648.74 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID58472733
Molecular FormulaC38H37FN4O5
Molecular Weight648.74 g/mol
Exact Mass648.27
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OCCN4CCOCC4)cc3C)cc12
InChIInChI=1S/C38H37FN4O5/c1-24-21-32(47-20-17-43-15-18-46-19-16-43)30(36(44)42-38(12-13-38)33-5-3-4-14-41-33)23-28(24)26-8-11-31-29(22-26)34(37(45)40-2)35(48-31)25-6-9-27(39)10-7-25/h3-11,14,21-23H,12-13,15-20H2,1-2H3,(H,40,45)(H,42,44)
InChIKeyYNMFKJJVNGJAJF-UHFFFAOYSA-N
XLogP6.10
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.74
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 58472733) is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OCCN4CCOCC4)cc3C)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is YNMFKJJVNGJAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN4O5/c1-24-21-32(47-20-17-43-15-18-46-19-16-43)30(36(44)42-38(12-13-38)33-5-3-4-14-41-33)23-28(24)26-8-11-31-29(22-26)34(37(45)40-2)35(48-31)25-6-9-27(39)10-7-25/h3-11,14,21-23H,12-13,15-20H2,1-2H3,(H,40,45)(H,42,44).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 648.74 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(2-morpholin-4-ylethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 58472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).