2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

C13H13ClF2N2O3 — CID 99697494

IUPAC2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1N1CC[C@@H](NC(=O)C(F)(F)Cl)C1=O
InChIInChI=1S/C13H13ClF2N2O3/c1-21-10-5-3-2-4-9(10)18-7-6-8(11(18)19)17-12(20)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)/t8-/m1/s1
InChIKeyOSIRSFQVXWUALV-MRVPVSSYSA-N
MW318.71 g/mol
LogP1.75
Rot. Bonds4

About 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 99697494) has the molecular formula C13H13ClF2N2O3 and a molecular weight of 318.71 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID99697494
Molecular FormulaC13H13ClF2N2O3
Molecular Weight318.71 g/mol
Exact Mass318.06
IUPAC Name2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1N1CC[C@@H](NC(=O)C(F)(F)Cl)C1=O
InChIInChI=1S/C13H13ClF2N2O3/c1-21-10-5-3-2-4-9(10)18-7-6-8(11(18)19)17-12(20)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)/t8-/m1/s1
InChIKeyOSIRSFQVXWUALV-MRVPVSSYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 102559541
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
CID 136543947
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136542020
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (CID 99697494) is 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is COc1ccccc1N1CC[C@@H](NC(=O)C(F)(F)Cl)C1=O.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is OSIRSFQVXWUALV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O3/c1-21-10-5-3-2-4-9(10)18-7-6-8(11(18)19)17-12(20)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)/t8-/m1/s1.
What are the key properties of 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 318.71 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99697494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).