N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide

C12H15ClN2O — CID 66182738

IUPACN-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1Cl)C1CNC1
InChIInChI=1S/C12H15ClN2O/c1-2-15(9-7-14-8-9)12(16)10-5-3-4-6-11(10)13/h3-6,9,14H,2,7-8H2,1H3
InChIKeyRUSBACNWDBVFMB-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.77
Rot. Bonds3

About N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide

N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide (PubChem CID 66182738) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
PubChem CID66182738
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1Cl)C1CNC1
InChIInChI=1S/C12H15ClN2O/c1-2-15(9-7-14-8-9)12(16)10-5-3-4-6-11(10)13/h3-6,9,14H,2,7-8H2,1H3
InChIKeyRUSBACNWDBVFMB-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide (CID 66182738) is N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide is CCN(C(=O)c1ccccc1Cl)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?
The InChIKey is RUSBACNWDBVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-15(9-7-14-8-9)12(16)10-5-3-4-6-11(10)13/h3-6,9,14H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide has a molecular weight of 238.72 g/mol, XLogP of 1.77, 3 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-chloro-N-ethylbenzamide is sourced from PubChem (CID 66182738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).