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

C34H32FN3O4 — CID 59275453

IUPAC2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCc3ccccn3)cc12
InChIInChI=1S/C34H32FN3O4/c1-21(2)20-38-33(39)24-10-13-29(41-17-15-26-6-4-5-16-37-26)27(19-24)23-9-14-30-28(18-23)31(34(40)36-3)32(42-30)22-7-11-25(35)12-8-22/h4-14,16,18-19,21H,15,17,20H2,1-3H3,(H,36,40)(H,38,39)
InChIKeyPNNLZMKBTAWWKR-UHFFFAOYSA-N
MW565.65 g/mol
LogP6.67
Rot. Bonds10

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

2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275453) has the molecular formula C34H32FN3O4 and a molecular weight of 565.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275453
Molecular FormulaC34H32FN3O4
Molecular Weight565.65 g/mol
Exact Mass565.24
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCc3ccccn3)cc12
InChIInChI=1S/C34H32FN3O4/c1-21(2)20-38-33(39)24-10-13-29(41-17-15-26-6-4-5-16-37-26)27(19-24)23-9-14-30-28(18-23)31(34(40)36-3)32(42-30)22-7-11-25(35)12-8-22/h4-14,16,18-19,21H,15,17,20H2,1-3H3,(H,36,40)(H,38,39)
InChIKeyPNNLZMKBTAWWKR-UHFFFAOYSA-N
XLogP6.67
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275173
2-(4-fluorophenyl)-5-[2-methoxy-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275674
2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275396
2-(4-fluorophenyl)-5-[2-hydroxy-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275349
5-[2-(3-aminopropoxy)-5-(4-methylpentanoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472875
2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275277
bis(2-bromopropane);5-[2-cyclobutyloxy-5-(2-methylpropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-5-[2-hydroxy-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-propan-2-yloxyphenyl]-1-benzofuran-3-carboxamide;methane
CID 158052683
2-(4-fluorophenyl)-N-methyl-5-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]-1-benzofuran-3-carboxamide
CID 59275348
2-(4-fluorophenyl)-N-methyl-5-[3-(3-methylbutylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275255
4-[(2-bromo-4-pyridinyl)methoxy]-3-[2-(4-fluorophenyl)-3-formyl-1-benzofuran-5-yl]-N-(2-methylpropyl)benzamide
CID 89091112
[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-2-(2-methylpropylcarbamoyl)phenyl] trifluoromethanesulfonate
CID 87311393
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(2-methylimidazol-1-yl)ethoxy]-5-(2-methylpropylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275271

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide (CID 59275453) is 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCc3ccccn3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is PNNLZMKBTAWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O4/c1-21(2)20-38-33(39)24-10-13-29(41-17-15-26-6-4-5-16-37-26)27(19-24)23-9-14-30-28(18-23)31(34(40)36-3)32(42-30)22-7-11-25(35)12-8-22/h4-14,16,18-19,21H,15,17,20H2,1-3H3,(H,36,40)(H,38,39).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 6.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).