1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide

C13H15ClN2O2 — CID 71785207

IUPAC1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)16-7-11(8-16)13(18)15-6-10-4-2-3-5-12(10)14/h2-5,11H,6-8H2,1H3,(H,15,18)
InChIKeyKSNSAJAWNAQQOT-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.43
Rot. Bonds3

About 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide

1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide (PubChem CID 71785207) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide
PubChem CID71785207
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)16-7-11(8-16)13(18)15-6-10-4-2-3-5-12(10)14/h2-5,11H,6-8H2,1H3,(H,15,18)
InChIKeyKSNSAJAWNAQQOT-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide (CID 71785207) is 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide?
The InChIKey is KSNSAJAWNAQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)16-7-11(8-16)13(18)15-6-10-4-2-3-5-12(10)14/h2-5,11H,6-8H2,1H3,(H,15,18).
What are the key properties of 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide?
1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-chlorophenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).