2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C13H17Cl3N2O — CID 23724392

IUPAC2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-10-3-4-11(12(15)9-10)13(18)16-5-8-17-6-1-2-7-17;/h3-4,9H,1-2,5-8H2,(H,16,18);1H
InChIKeyRXJGQGMXYYDERD-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.24
Rot. Bonds4

About 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 23724392) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID23724392
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-10-3-4-11(12(15)9-10)13(18)16-5-8-17-6-1-2-7-17;/h3-4,9H,1-2,5-8H2,(H,16,18);1H
InChIKeyRXJGQGMXYYDERD-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 23724392) is 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is RXJGQGMXYYDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c14-10-3-4-11(12(15)9-10)13(18)16-5-8-17-6-1-2-7-17;/h3-4,9H,1-2,5-8H2,(H,16,18);1H.
What are the key properties of 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 23724392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).