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

C29H22FN3O3 — CID 59275277

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccn4)c3)cc12
InChIInChI=1S/C29H22FN3O3/c1-31-29(35)26-24-16-20(10-13-25(24)36-27(26)18-8-11-22(30)12-9-18)19-5-4-6-21(15-19)28(34)33-17-23-7-2-3-14-32-23/h2-16H,17H2,1H3,(H,31,35)(H,33,34)
InChIKeyGXDJKJZDVBNIBW-UHFFFAOYSA-N
MW479.51 g/mol
LogP5.59
Rot. Bonds6

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

2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275277) has the molecular formula C29H22FN3O3 and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275277
Molecular FormulaC29H22FN3O3
Molecular Weight479.51 g/mol
Exact Mass479.16
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccn4)c3)cc12
InChIInChI=1S/C29H22FN3O3/c1-31-29(35)26-24-16-20(10-13-25(24)36-27(26)18-8-11-22(30)12-9-18)19-5-4-6-21(15-19)28(34)33-17-23-7-2-3-14-32-23/h2-16H,17H2,1H3,(H,31,35)(H,33,34)
InChIKeyGXDJKJZDVBNIBW-UHFFFAOYSA-N
XLogP5.59
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275235
2-(4-fluorophenyl)-N-methyl-5-[3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275514
2-(4-fluorophenyl)-N-methyl-5-[3-(3-methylbutylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275255
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472649
2-(4-fluorophenyl)-N-methyl-5-[3-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275721
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-[3-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275141
2-(4-fluorophenyl)-5-[3-[[1-(hydroxymethyl)cyclopentyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275497
2-(4-fluorophenyl)-5-[3-[[(2E,4Z)-6-iodo-2-methylhexa-2,4-dienyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 88900782
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1-phenylcyclopropyl)acetyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472686

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (CID 59275277) is 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccccn4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is GXDJKJZDVBNIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN3O3/c1-31-29(35)26-24-16-20(10-13-25(24)36-27(26)18-8-11-22(30)12-9-18)19-5-4-6-21(15-19)28(34)33-17-23-7-2-3-14-32-23/h2-16H,17H2,1H3,(H,31,35)(H,33,34).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).