2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide

C12H12ClN3O — CID 64616779

IUPAC2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12ClN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyPYUUVHQICXFFCL-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.76
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide

2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide (PubChem CID 64616779) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
PubChem CID64616779
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12ClN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyPYUUVHQICXFFCL-UHFFFAOYSA-N
XLogP1.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63876656
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
CID 65290889
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide (CID 64616779) is 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The InChIKey is PYUUVHQICXFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide has a molecular weight of 249.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide is sourced from PubChem (CID 64616779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).