1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one

C19H19F2NO2 — CID 146451240

IUPAC1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(c2ccc(OCc3ccccc3)c(F)c2F)C1=O
InChIInChI=1S/C19H19F2NO2/c1-2-14-10-11-22(19(14)23)15-8-9-16(18(21)17(15)20)24-12-13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3
InChIKeyYADDNKBQFOOBHT-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.31
Rot. Bonds5

About 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one

1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one (PubChem CID 146451240) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one
PubChem CID146451240
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(c2ccc(OCc3ccccc3)c(F)c2F)C1=O
InChIInChI=1S/C19H19F2NO2/c1-2-14-10-11-22(19(14)23)15-8-9-16(18(21)17(15)20)24-12-13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3
InChIKeyYADDNKBQFOOBHT-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 56628405
(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
CID 171366387
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
N-(2-phenylmethoxyphenoxy)propan-1-imine
CID 118526745
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3874488

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one?
The IUPAC name of 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one (CID 146451240) is 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one?
The canonical SMILES for 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one is CCC1CCN(c2ccc(OCc3ccccc3)c(F)c2F)C1=O.
What is the InChIKey of 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one?
The InChIKey is YADDNKBQFOOBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-2-14-10-11-22(19(14)23)15-8-9-16(18(21)17(15)20)24-12-13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one?
1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one has a molecular weight of 331.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-phenylmethoxyphenyl)-3-ethylpyrrolidin-2-one is sourced from PubChem (CID 146451240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).