N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide

C15H21FN2O — CID 106974155

IUPACN-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C)cc2F)CCCN1
InChIInChI=1S/C15H21FN2O/c1-3-7-15(8-4-9-17-15)14(19)18-13-6-5-11(2)10-12(13)16/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyCLKOPXYJKDEWLV-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.99
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974155) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974155
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C)cc2F)CCCN1
InChIInChI=1S/C15H21FN2O/c1-3-7-15(8-4-9-17-15)14(19)18-13-6-5-11(2)10-12(13)16/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyCLKOPXYJKDEWLV-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975900
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974155) is N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc(C)cc2F)CCCN1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is CLKOPXYJKDEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-7-15(8-4-9-17-15)14(19)18-13-6-5-11(2)10-12(13)16/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).