N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

C14H19FN2O — CID 79388197

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-9-12(7-8-16-9)14(18)17-10(2)11-5-3-4-6-13(11)15/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18)
InChIKeySVUNCHIUWPKBMY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.00
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388197) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388197
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-9-12(7-8-16-9)14(18)17-10(2)11-5-3-4-6-13(11)15/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18)
InChIKeySVUNCHIUWPKBMY-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81377637
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (CID 79388197) is N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is SVUNCHIUWPKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-12(7-8-16-9)14(18)17-10(2)11-5-3-4-6-13(11)15/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).