N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide

C14H19FN2O — CID 69203446

IUPACN-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(15)8-12(10)16-13(18)17-7-6-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPZIJTRVVENIQDF-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.40
Rot. Bonds1

About N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide

N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide (PubChem CID 69203446) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
PubChem CID69203446
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(15)8-12(10)16-13(18)17-7-6-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPZIJTRVVENIQDF-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
CID 56892475
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107
4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 23856810
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
1-[(2-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide (CID 69203446) is N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide is Cc1ccc(F)cc1NC(=O)N1CCC(C)(C)C1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide?
The InChIKey is PZIJTRVVENIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-5-11(15)8-12(10)16-13(18)17-7-6-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide?
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).