N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide

C15H20F2N2O — CID 119767629

IUPACN-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC1CCCN1
InChIInChI=1S/C15H20F2N2O/c1-2-19(15(20)9-11-5-4-8-18-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyJVLFINUGRQJCCQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide

N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide (PubChem CID 119767629) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
PubChem CID119767629
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CC1CCCN1
InChIInChI=1S/C15H20F2N2O/c1-2-19(15(20)9-11-5-4-8-18-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyJVLFINUGRQJCCQ-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
CID 119767607
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698
N-(cyclobutylmethyl)-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 107398386
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676464
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide (CID 119767629) is N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide is CCN(Cc1c(F)cccc1F)C(=O)CC1CCCN1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is JVLFINUGRQJCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-19(15(20)9-11-5-4-8-18-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 282.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119767629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).