N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide

C13H15FN2O2 — CID 166249858

IUPACN-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C)CCNC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-13(7-8-15-11(13)17)12(18)16(2)10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyPEYYBNONLIQNPD-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.31
Rot. Bonds2

About N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide

N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 166249858) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide
PubChem CID166249858
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C)CCNC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-13(7-8-15-11(13)17)12(18)16(2)10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyPEYYBNONLIQNPD-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 126781555
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
3-[(4-fluorophenyl)-methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184938
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76930717
1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 104698574
2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764528
4-(4-fluoro-N-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992368
(2R)-1-N-(4-fluorophenyl)-1-N,2-dimethylpiperidine-1,2-dicarboxamide
CID 99790505

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide (CID 166249858) is N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide is CN(C(=O)C1(C)CCNC1=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PEYYBNONLIQNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-13(7-8-15-11(13)17)12(18)16(2)10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166249858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).