3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide

C14H19FN2O — CID 63138345

IUPAC3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C)cc2F)CCNC1
InChIInChI=1S/C14H19FN2O/c1-3-14(6-7-16-9-14)13(18)17-12-5-4-10(2)8-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZZLDDVPBXAREEK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.46
Rot. Bonds3

About 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide

3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63138345) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID63138345
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C)cc2F)CCNC1
InChIInChI=1S/C14H19FN2O/c1-3-14(6-7-16-9-14)13(18)17-12-5-4-10(2)8-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZZLDDVPBXAREEK-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
4-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide
CID 63128400
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide (CID 63138345) is 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(C)cc2F)CCNC1.
What is the InChIKey of 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZZLDDVPBXAREEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-14(6-7-16-9-14)13(18)17-12-5-4-10(2)8-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63138345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).