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

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CID 885659
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CID 2218154
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3-chloro-N-(2-methylpropyl)benzamide
CID 587374
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446658
N-[(4-chlorophenyl)methyl]pentanamide
CID 2169936
N-((4-Chlorophenyl)methyl)acetamide
CID 42116
N-(4-Chlorobenzyl)hexanamide
CID 4092607
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829

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).