N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

C26H21FN2O3 — CID 67018299

IUPACN-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCC1CCN1C(=O)c1ccccc1-c1cccc(F)c1)c1cccc2occc12
InChIInChI=1S/C26H21FN2O3/c27-18-6-3-5-17(15-18)20-7-1-2-8-23(20)26(31)29-13-11-19(29)16-28-25(30)22-9-4-10-24-21(22)12-14-32-24/h1-10,12,14-15,19H,11,13,16H2,(H,28,30)
InChIKeyLXPFPBVEBXDCGF-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.88
Rot. Bonds5

About N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (PubChem CID 67018299) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
PubChem CID67018299
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC NameN-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCC1CCN1C(=O)c1ccccc1-c1cccc(F)c1)c1cccc2occc12
InChIInChI=1S/C26H21FN2O3/c27-18-6-3-5-17(15-18)20-7-1-2-8-23(20)26(31)29-13-11-19(29)16-28-25(30)22-9-4-10-24-21(22)12-14-32-24/h1-10,12,14-15,19H,11,13,16H2,(H,28,30)
InChIKeyLXPFPBVEBXDCGF-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4R)-3-[2-(3-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]-1-benzofuran-4-carboxamide
CID 25071235
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-[[(2S,4S)-4-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692194
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
4-(3-fluorophenyl)-1-benzofuran
CID 10751013
N-[[1-(6-phenylcyclohexa-1,5-dien-1-yl)sulfonylpiperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 145079149
N-[[(1R,2S,5S)-3-[2-(3-fluorophenyl)-4-methylbenzoyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 91601469
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 10224695
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide (CID 67018299) is N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is O=C(NCC1CCN1C(=O)c1ccccc1-c1cccc(F)c1)c1cccc2occc12.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
The InChIKey is LXPFPBVEBXDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c27-18-6-3-5-17(15-18)20-7-1-2-8-23(20)26(31)29-13-11-19(29)16-28-25(30)22-9-4-10-24-21(22)12-14-32-24/h1-10,12,14-15,19H,11,13,16H2,(H,28,30).
What are the key properties of N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide?
N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67018299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).