2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C13H18Cl2N2O — CID 2941366

IUPAC2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16;/h1-2,5-6H,3-4,7-10H2,(H,15,17);1H
InChIKeyHENZNYAJJZQIDP-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.59
Rot. Bonds4

About 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 2941366) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID2941366
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16;/h1-2,5-6H,3-4,7-10H2,(H,15,17);1H
InChIKeyHENZNYAJJZQIDP-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.59
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 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 2941366) is 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is HENZNYAJJZQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16;/h1-2,5-6H,3-4,7-10H2,(H,15,17);1H.
What are the key properties of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 2941366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).