N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C14H15F3N2O2 — CID 99840043

IUPACN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H15F3N2O2/c15-10-3-5-11(6-4-10)19(8-12(16)17)14(21)9-18-7-1-2-13(18)20/h3-6,12H,1-2,7-9H2
InChIKeyMCSOSTSUHBJVLT-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.05
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 99840043) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID99840043
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H15F3N2O2/c15-10-3-5-11(6-4-10)19(8-12(16)17)14(21)9-18-7-1-2-13(18)20/h3-6,12H,1-2,7-9H2
InChIKeyMCSOSTSUHBJVLT-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198675
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45215299
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
CID 55007881
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 164695359
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
1-[2-[(3S,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 125144801
1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 99840043) is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C1CCCN1CC(=O)N(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is MCSOSTSUHBJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-10-3-5-11(6-4-10)19(8-12(16)17)14(21)9-18-7-1-2-13(18)20/h3-6,12H,1-2,7-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 300.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 99840043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).