N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide

C13H17FN2O — CID 79383629

IUPACN-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCNC1C
InChIInChI=1S/C13H17FN2O/c1-8-7-10(14)3-4-12(8)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyLKARRGKDKDGZMG-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.07
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide

N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79383629) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79383629
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCNC1C
InChIInChI=1S/C13H17FN2O/c1-8-7-10(14)3-4-12(8)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyLKARRGKDKDGZMG-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide (CID 79383629) is N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide is Cc1cc(F)ccc1NC(=O)C1CCNC1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is LKARRGKDKDGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-7-10(14)3-4-12(8)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).