3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

C15H17Cl2FN2O2 — CID 19710982

IUPAC3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2FN2O2/c1-15(2,8-16)14(22)19-12-5-6-20(13(12)21)9-3-4-11(18)10(17)7-9/h3-4,7,12H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyQUTFSZKDJZPDRP-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.97
Rot. Bonds4

About 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 19710982) has the molecular formula C15H17Cl2FN2O2 and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID19710982
Molecular FormulaC15H17Cl2FN2O2
Molecular Weight347.22 g/mol
Exact Mass346.07
IUPAC Name3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2FN2O2/c1-15(2,8-16)14(22)19-12-5-6-20(13(12)21)9-3-4-11(18)10(17)7-9/h3-4,7,12H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyQUTFSZKDJZPDRP-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 19710982) is 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCN(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is QUTFSZKDJZPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2FN2O2/c1-15(2,8-16)14(22)19-12-5-6-20(13(12)21)9-3-4-11(18)10(17)7-9/h3-4,7,12H,5-6,8H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 347.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19710982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).