1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide

C14H17ClN2O3 — CID 136532070

IUPAC1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)C(C)Oc2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9(20-12-6-4-3-5-11(12)15)14(19)17-7-10(8-17)13(18)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyKMZFPGIWWNCPCO-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.31
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide

1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide (PubChem CID 136532070) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
PubChem CID136532070
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)C(C)Oc2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9(20-12-6-4-3-5-11(12)15)14(19)17-7-10(8-17)13(18)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyKMZFPGIWWNCPCO-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64605835
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455
(3S,4S)-1-[2-(2-chlorophenoxy)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950996
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
CID 136532080
(3S,4S)-1-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953063
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38909009

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide (CID 136532070) is 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(C(=O)C(C)Oc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide?
The InChIKey is KMZFPGIWWNCPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9(20-12-6-4-3-5-11(12)15)14(19)17-7-10(8-17)13(18)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide?
1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide has a molecular weight of 296.75 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 136532070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).