3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide

C14H17Cl2N3O2 — CID 119034743

IUPAC3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPBXJJBLBDWBLKB-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.58
Rot. Bonds3

About 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide

3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide (PubChem CID 119034743) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
PubChem CID119034743
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPBXJJBLBDWBLKB-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide (CID 119034743) is 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The InChIKey is PBXJJBLBDWBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 119034743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).