N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide

C22H21FN2O4 — CID 43822157

IUPACN-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
SMILESO=C1CC(c2ccc(F)cc2)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C22H21FN2O4/c23-15-5-3-14(4-6-15)17-12-20(26)25(17)22(9-1-2-10-22)21(27)24-16-7-8-18-19(11-16)29-13-28-18/h3-8,11,17H,1-2,9-10,12-13H2,(H,24,27)
InChIKeySKMFBZLXGSRZOU-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.78
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide (PubChem CID 43822157) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
PubChem CID43822157
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
SMILESO=C1CC(c2ccc(F)cc2)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C22H21FN2O4/c23-15-5-3-14(4-6-15)17-12-20(26)25(17)22(9-1-2-10-22)21(27)24-16-7-8-18-19(11-16)29-13-28-18/h3-8,11,17H,1-2,9-10,12-13H2,(H,24,27)
InChIKeySKMFBZLXGSRZOU-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
CID 43822158
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]thiane-4-carboxamide
CID 1495312
4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]-N-[4-(dimethylamino)phenyl]thiane-4-carboxamide
CID 1493716
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51114930
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
N-[4-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166205185
N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide
CID 1493626
N-(1,3-benzodioxol-5-yl)-1-cyanocyclohexane-1-carboxamide
CID 61459502
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
CID 50945546
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
CID 43815899

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide (CID 43822157) is N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide is O=C1CC(c2ccc(F)cc2)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The InChIKey is SKMFBZLXGSRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c23-15-5-3-14(4-6-15)17-12-20(26)25(17)22(9-1-2-10-22)21(27)24-16-7-8-18-19(11-16)29-13-28-18/h3-8,11,17H,1-2,9-10,12-13H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 43822157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).