N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide

C27H26FN3O4 — CID 59737262

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)oc12
InChIInChI=1S/C27H26FN3O4/c1-33-24-13-17(16-31-8-10-34-11-9-31)12-20-15-25(35-26(20)24)27(32)30-23-14-19(4-7-22(23)29)18-2-5-21(28)6-3-18/h2-7,12-15H,8-11,16,29H2,1H3,(H,30,32)
InChIKeyAQUJFGPKUPXXBZ-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.91
Rot. Bonds6

About N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 59737262) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID59737262
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)oc12
InChIInChI=1S/C27H26FN3O4/c1-33-24-13-17(16-31-8-10-34-11-9-31)12-20-15-25(35-26(20)24)27(32)30-23-14-19(4-7-22(23)29)18-2-5-21(28)6-3-18/h2-7,12-15H,8-11,16,29H2,1H3,(H,30,32)
InChIKeyAQUJFGPKUPXXBZ-UHFFFAOYSA-N
XLogP4.91
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 59737262) is N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide is COc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)oc12.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AQUJFGPKUPXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-33-24-13-17(16-31-8-10-34-11-9-31)12-20-15-25(35-26(20)24)27(32)30-23-14-19(4-7-22(23)29)18-2-5-21(28)6-3-18/h2-7,12-15H,8-11,16,29H2,1H3,(H,30,32).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59737262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).