N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide

C14H19ClN2O — CID 66182884

IUPACN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C14H19ClN2O/c1-2-6-17(13-9-16-10-13)14(18)8-11-4-3-5-12(15)7-11/h3-5,7,13,16H,2,6,8-10H2,1H3
InChIKeyKFEXTFDHLVPCOK-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.09
Rot. Bonds5

About N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide

N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide (PubChem CID 66182884) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
PubChem CID66182884
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C14H19ClN2O/c1-2-6-17(13-9-16-10-13)14(18)8-11-4-3-5-12(15)7-11/h3-5,7,13,16H,2,6,8-10H2,1H3
InChIKeyKFEXTFDHLVPCOK-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
CID 114030457
N-(azetidin-3-yl)-N-propyl-2-pyridin-2-ylacetamide
CID 66182452
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
1-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 125118018

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide (CID 66182884) is N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide is CCCN(C(=O)Cc1cccc(Cl)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide?
The InChIKey is KFEXTFDHLVPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-6-17(13-9-16-10-13)14(18)8-11-4-3-5-12(15)7-11/h3-5,7,13,16H,2,6,8-10H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide?
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide is sourced from PubChem (CID 66182884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).