N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

C14H19FN2O — CID 79388805

IUPACN-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1C)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-17(13-7-5-4-6-12(13)15)14(18)11-8-9-16-10(11)2/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyGBRIJERROWANKK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.18
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388805) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388805
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1C)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-17(13-7-5-4-6-12(13)15)14(18)11-8-9-16-10(11)2/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyGBRIJERROWANKK-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
CID 79389175
(2S,3S)-N-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 118039063
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 68709871
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (CID 79388805) is N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is CCN(C(=O)C1CCNC1C)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is GBRIJERROWANKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-17(13-7-5-4-6-12(13)15)14(18)11-8-9-16-10(11)2/h4-7,10-11,16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 250.32 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-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).