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

C29H29FN2O5 — CID 59275173

IUPAC2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCO)cc12
InChIInChI=1S/C29H29FN2O5/c1-17(2)16-32-28(34)20-7-10-24(36-13-12-33)22(15-20)19-6-11-25-23(14-19)26(29(35)31-3)27(37-25)18-4-8-21(30)9-5-18/h4-11,14-15,17,33H,12-13,16H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyUZJRTCXEUMDBBJ-UHFFFAOYSA-N
MW504.56 g/mol
LogP5.02
Rot. Bonds9

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

2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275173) has the molecular formula C29H29FN2O5 and a molecular weight of 504.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275173
Molecular FormulaC29H29FN2O5
Molecular Weight504.56 g/mol
Exact Mass504.21
IUPAC Name2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCO)cc12
InChIInChI=1S/C29H29FN2O5/c1-17(2)16-32-28(34)20-7-10-24(36-13-12-33)22(15-20)19-6-11-25-23(14-19)26(29(35)31-3)27(37-25)18-4-8-21(30)9-5-18/h4-11,14-15,17,33H,12-13,16H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyUZJRTCXEUMDBBJ-UHFFFAOYSA-N
XLogP5.02
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-pyridin-2-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275453
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
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
[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-2-(2-methylpropylcarbamoyl)phenyl] trifluoromethanesulfonate
CID 87311393
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
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(2-methylimidazol-1-yl)ethoxy]-5-(2-methylpropylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275271
3-[2-(4-fluorophenyl)-3-formyl-1-benzofuran-5-yl]-N-(2-methylpropyl)-4-(piperidin-3-ylmethoxy)benzamide
CID 89091154

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 59275173) is 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NCC(C)C)ccc3OCCO)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is UZJRTCXEUMDBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O5/c1-17(2)16-32-28(34)20-7-10-24(36-13-12-33)22(15-20)19-6-11-25-23(14-19)26(29(35)31-3)27(37-25)18-4-8-21(30)9-5-18/h4-11,14-15,17,33H,12-13,16H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 504.56 g/mol, XLogP of 5.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).