N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide

C14H18FN3O2 — CID 91282320

IUPACN-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide
SMILESCC(C)N(C=O)c1ccc(N2CCC(N)C2=O)c(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9(2)18(8-19)10-3-4-13(11(15)7-10)17-6-5-12(16)14(17)20/h3-4,7-9,12H,5-6,16H2,1-2H3
InChIKeyCNGYHQRGDMEGAR-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.26
Rot. Bonds4

About N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide

N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide (PubChem CID 91282320) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide
PubChem CID91282320
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide
SMILESCC(C)N(C=O)c1ccc(N2CCC(N)C2=O)c(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9(2)18(8-19)10-3-4-13(11(15)7-10)17-6-5-12(16)14(17)20/h3-4,7-9,12H,5-6,16H2,1-2H3
InChIKeyCNGYHQRGDMEGAR-UHFFFAOYSA-N
XLogP1.26
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide?
The IUPAC name of N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide (CID 91282320) is N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide?
The canonical SMILES for N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide is CC(C)N(C=O)c1ccc(N2CCC(N)C2=O)c(F)c1.
What is the InChIKey of N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide?
The InChIKey is CNGYHQRGDMEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(2)18(8-19)10-3-4-13(11(15)7-10)17-6-5-12(16)14(17)20/h3-4,7-9,12H,5-6,16H2,1-2H3.
What are the key properties of N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide?
N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide has a molecular weight of 279.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide is sourced from PubChem (CID 91282320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).