N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C13H18Cl2N2O — CID 24832627

IUPACN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16;/h4-6H,2-3,7-9H2,1H3,(H,15,17);1H
InChIKeyDCGGIPJFBRUGLE-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.10
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 24832627) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID24832627
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16;/h4-6H,2-3,7-9H2,1H3,(H,15,17);1H
InChIKeyDCGGIPJFBRUGLE-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
(2-chlorophenyl)methyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 3559790
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-[4-[(2-chlorophenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 4983370
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 24832627) is N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cc1cccc(Cl)c1NC(=O)CN1CCCC1.Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is DCGGIPJFBRUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16;/h4-6H,2-3,7-9H2,1H3,(H,15,17);1H.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 24832627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).