N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide

C16H23FN2O — CID 106974513

IUPACN-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccccc2F)CCCN1
InChIInChI=1S/C16H23FN2O/c1-3-9-16(10-6-11-18-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyUMLKAWKMNLABLL-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.93
Rot. Bonds5

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

N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974513) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974513
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccccc2F)CCCN1
InChIInChI=1S/C16H23FN2O/c1-3-9-16(10-6-11-18-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyUMLKAWKMNLABLL-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974390
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975724
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide (CID 106974513) is N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(C)c2ccccc2F)CCCN1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is UMLKAWKMNLABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-9-16(10-6-11-18-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.93, 5 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).