N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide

C15H20F2N2O — CID 79389175

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNC1C
InChIInChI=1S/C15H20F2N2O/c1-3-19(15(20)12-6-7-18-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyJZFPWCKYTKILME-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.31
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide (PubChem CID 79389175) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
PubChem CID79389175
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNC1C
InChIInChI=1S/C15H20F2N2O/c1-3-19(15(20)12-6-7-18-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyJZFPWCKYTKILME-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79389328
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
3-[(3,4-difluorophenyl)methyl-[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692965
3-[(3,4-difluorophenyl)methyl-[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692120
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79379133
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide (CID 79389175) is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNC1C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide?
The InChIKey is JZFPWCKYTKILME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-3-19(15(20)12-6-7-18-10(12)2)9-11-4-5-13(16)14(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).