N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C12H13FN2O2 — CID 127263481

IUPACN-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCCC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-8(2-4-9)7-15-12(17)10-5-6-14-11(10)16/h1-4,10H,5-7H2,(H,14,16)(H,15,17)
InChIKeyRSRBCLNRYRLEKS-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.58
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 127263481) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID127263481
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCCC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-8(2-4-9)7-15-12(17)10-5-6-14-11(10)16/h1-4,10H,5-7H2,(H,14,16)(H,15,17)
InChIKeyRSRBCLNRYRLEKS-UHFFFAOYSA-N
XLogP0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 6466809
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
trans-(1S,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6593035
(1R,2R,3R,4S)-3-[(4-fluorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18555782
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 127263481) is N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is O=C1NCCC1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RSRBCLNRYRLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-8(2-4-9)7-15-12(17)10-5-6-14-11(10)16/h1-4,10H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 127263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).