2-chloro-N-(1-ethylazetidin-3-yl)propanamide

C8H15ClN2O — CID 130743789

IUPAC2-chloro-N-(1-ethylazetidin-3-yl)propanamide
SMILESCCN1CC(NC(=O)C(C)Cl)C1
InChIInChI=1S/C8H15ClN2O/c1-3-11-4-7(5-11)10-8(12)6(2)9/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyIMABVWCOOMQHJG-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.43
Rot. Bonds3

About 2-chloro-N-(1-ethylazetidin-3-yl)propanamide

2-chloro-N-(1-ethylazetidin-3-yl)propanamide (PubChem CID 130743789) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylazetidin-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylazetidin-3-yl)propanamide
PubChem CID130743789
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-chloro-N-(1-ethylazetidin-3-yl)propanamide
SMILESCCN1CC(NC(=O)C(C)Cl)C1
InChIInChI=1S/C8H15ClN2O/c1-3-11-4-7(5-11)10-8(12)6(2)9/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyIMABVWCOOMQHJG-UHFFFAOYSA-N
XLogP0.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-ethylazetidin-3-yl)acetamide
CID 126997562
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
2-chloro-N-cyclopent-3-en-1-ylpropanamide
CID 115879969
N-[1-ethyl-5-(1-hydroxyethyl)piperidin-3-yl]acetamide
CID 112541682
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 153353379
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
CID 146427444
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
2-chloro-N-(3-methylcyclopentyl)propanamide
CID 114544468
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)propanamide (CID 130743789) is 2-chloro-N-(1-ethylazetidin-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(1-ethylazetidin-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(1-ethylazetidin-3-yl)propanamide is CCN1CC(NC(=O)C(C)Cl)C1.
What is the InChIKey of 2-chloro-N-(1-ethylazetidin-3-yl)propanamide?
The InChIKey is IMABVWCOOMQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-3-11-4-7(5-11)10-8(12)6(2)9/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 2-chloro-N-(1-ethylazetidin-3-yl)propanamide?
2-chloro-N-(1-ethylazetidin-3-yl)propanamide has a molecular weight of 190.67 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylazetidin-3-yl)propanamide is sourced from PubChem (CID 130743789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).