2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride

C16H22ClF2N3O2 — CID 119814099

IUPAC2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(c2c(F)cccc2F)C1=O.Cl
InChIInChI=1S/C16H21F2N3O2.ClH/c1-3-8-16(2,19)15(23)20-12-7-9-21(14(12)22)13-10(17)5-4-6-11(13)18;/h4-6,12H,3,7-9,19H2,1-2H3,(H,20,23);1H
InChIKeyNFIRIURIVFMMEU-UHFFFAOYSA-N
MW361.82 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119814099) has the molecular formula C16H22ClF2N3O2 and a molecular weight of 361.82 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
PubChem CID119814099
Molecular FormulaC16H22ClF2N3O2
Molecular Weight361.82 g/mol
Exact Mass361.14
IUPAC Name2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(c2c(F)cccc2F)C1=O.Cl
InChIInChI=1S/C16H21F2N3O2.ClH/c1-3-8-16(2,19)15(23)20-12-7-9-21(14(12)22)13-10(17)5-4-6-11(13)18;/h4-6,12H,3,7-9,19H2,1-2H3,(H,20,23);1H
InChIKeyNFIRIURIVFMMEU-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride 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 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride (CID 119814099) is 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC1CCN(c2c(F)cccc2F)C1=O.Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride?
The InChIKey is NFIRIURIVFMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2.ClH/c1-3-8-16(2,19)15(23)20-12-7-9-21(14(12)22)13-10(17)5-4-6-11(13)18;/h4-6,12H,3,7-9,19H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 361.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119814099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).