N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H19ClF2N2O2 — CID 119786758

IUPACN-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-9-4-5-11(7-12(9)20-14(15)16)18-13(19)8-10-3-2-6-17-10;/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyPQIXWMUSASBASD-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.10
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119786758) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119786758
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-9-4-5-11(7-12(9)20-14(15)16)18-13(19)8-10-3-2-6-17-10;/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyPQIXWMUSASBASD-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119786758) is N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CC2CCCN2)cc1OC(F)F.Cl.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is PQIXWMUSASBASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-9-4-5-11(7-12(9)20-14(15)16)18-13(19)8-10-3-2-6-17-10;/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119786758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).