2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide

C14H19ClN2O — CID 116676134

IUPAC2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C14H19ClN2O/c1-10(12-7-16-8-12)14(18)17(2)9-11-4-3-5-13(15)6-11/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyIGLBDKPWMWCOLU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.15
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide

2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 116676134) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID116676134
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C14H19ClN2O/c1-10(12-7-16-8-12)14(18)17(2)9-11-4-3-5-13(15)6-11/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyIGLBDKPWMWCOLU-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 116676120
N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61417366
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide (CID 116676134) is 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1cccc(Cl)c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is IGLBDKPWMWCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(12-7-16-8-12)14(18)17(2)9-11-4-3-5-13(15)6-11/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide?
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 116676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).