N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C13H19ClN2O — CID 119670441

IUPACN-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-4-2-5-12(8-10)15-13(16)9-11-6-3-7-14-11;/h2,4-5,8,11,14H,3,6-7,9H2,1H3,(H,15,16);1H
InChIKeyDCOSFQJJZCAYNW-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.50
Rot. Bonds3

About N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119670441) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119670441
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-4-2-5-12(8-10)15-13(16)9-11-6-3-7-14-11;/h2,4-5,8,11,14H,3,6-7,9H2,1H3,(H,15,16);1H
InChIKeyDCOSFQJJZCAYNW-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride
CID 119765365
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119670441) is N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1cccc(NC(=O)CC2CCCN2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is DCOSFQJJZCAYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10-4-2-5-12(8-10)15-13(16)9-11-6-3-7-14-11;/h2,4-5,8,11,14H,3,6-7,9H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).