N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride

C14H20Cl2N2O — CID 2941927

IUPACN-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)N2CCCC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10-5-6-12(9-13(10)15)16-14(18)11(2)17-7-3-4-8-17;/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18);1H
InChIKeyXDZNCPRXZGTQMP-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.49
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride

N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride (PubChem CID 2941927) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride
PubChem CID2941927
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)N2CCCC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10-5-6-12(9-13(10)15)16-14(18)11(2)17-7-3-4-8-17;/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18);1H
InChIKeyXDZNCPRXZGTQMP-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride (CID 2941927) is N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride is Cc1ccc(NC(=O)C(C)N2CCCC2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The InChIKey is XDZNCPRXZGTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-10-5-6-12(9-13(10)15)16-14(18)11(2)17-7-3-4-8-17;/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride?
N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 2941927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).