3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H21ClF2N2O2 — CID 119553266

IUPAC3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1ccc(OC(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-19(12-8-9-18-10-12)14(20)7-4-11-2-5-13(6-3-11)21-15(16)17;/h2-3,5-6,12,15,18H,4,7-10H2,1H3;1H
InChIKeyJXLUVCXSPJNHRQ-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.46
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119553266) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119553266
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1ccc(OC(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-19(12-8-9-18-10-12)14(20)7-4-11-2-5-13(6-3-11)21-15(16)17;/h2-3,5-6,12,15,18H,4,7-10H2,1H3;1H
InChIKeyJXLUVCXSPJNHRQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
CID 66185897
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119553266) is 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CN(C(=O)CCc1ccc(OC(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is JXLUVCXSPJNHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-19(12-8-9-18-10-12)14(20)7-4-11-2-5-13(6-3-11)21-15(16)17;/h2-3,5-6,12,15,18H,4,7-10H2,1H3;1H.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119553266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).