N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide

C14H18F2N2O — CID 142327023

IUPACN-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide
SMILESCCN1CCC(C)(NC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-3-18-8-7-14(2,9-18)17-13(19)12-10(15)5-4-6-11(12)16/h4-6H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyCGNDIFDFWOFDBS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds3

About N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide

N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide (PubChem CID 142327023) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide
PubChem CID142327023
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide
SMILESCCN1CCC(C)(NC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-3-18-8-7-14(2,9-18)17-13(19)12-10(15)5-4-6-11(12)16/h4-6H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyCGNDIFDFWOFDBS-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
N-(1,4-dimethylpiperidin-4-yl)-2,3,6-trifluorobenzamide;ethane
CID 142327101
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
CID 107016999
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
cyclobutane;(2,6-difluorophenyl)-(1'-ethyl-6-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 143399412
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide (CID 142327023) is N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide is CCN1CCC(C)(NC(=O)c2c(F)cccc2F)C1.
What is the InChIKey of N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide?
The InChIKey is CGNDIFDFWOFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-3-18-8-7-14(2,9-18)17-13(19)12-10(15)5-4-6-11(12)16/h4-6H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide?
N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrrolidin-3-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 142327023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).