2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C17H22ClF2N3O3 — CID 120795893

IUPAC2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(c2c(F)cccc2F)C1=O)C1CCOCC1
InChIInChI=1S/C17H21F2N3O3.ClH/c18-11-2-1-3-12(19)15(11)22-7-4-13(17(22)24)21-16(23)14(20)10-5-8-25-9-6-10;/h1-3,10,13-14H,4-9,20H2,(H,21,23);1H
InChIKeyQBJCXJCAKYKLLC-UHFFFAOYSA-N
MW389.83 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795893) has the molecular formula C17H22ClF2N3O3 and a molecular weight of 389.83 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795893
Molecular FormulaC17H22ClF2N3O3
Molecular Weight389.83 g/mol
Exact Mass389.13
IUPAC Name2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(c2c(F)cccc2F)C1=O)C1CCOCC1
InChIInChI=1S/C17H21F2N3O3.ClH/c18-11-2-1-3-12(19)15(11)22-7-4-13(17(22)24)21-16(23)14(20)10-5-8-25-9-6-10;/h1-3,10,13-14H,4-9,20H2,(H,21,23);1H
InChIKeyQBJCXJCAKYKLLC-UHFFFAOYSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120793480
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119814077
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
CID 119814099
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795893) is 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCN(c2c(F)cccc2F)C1=O)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is QBJCXJCAKYKLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3.ClH/c18-11-2-1-3-12(19)15(11)22-7-4-13(17(22)24)21-16(23)14(20)10-5-8-25-9-6-10;/h1-3,10,13-14H,4-9,20H2,(H,21,23);1H.
What are the key properties of 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 389.83 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).