4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

C14H17ClFNO — CID 114455007

IUPAC4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H17ClFNO/c1-8(2)3-13-12(7-14(18)17-13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,17,18)
InChIKeyXVXLVYMECZNLAU-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.50
Rot. Bonds3

About 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 114455007) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID114455007
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H17ClFNO/c1-8(2)3-13-12(7-14(18)17-13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,17,18)
InChIKeyXVXLVYMECZNLAU-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106592
4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114455061
4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114455063
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
CID 106534465
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66102587
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82602134
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114454821

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 114455007) is 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1NC(=O)CC1c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is XVXLVYMECZNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-8(2)3-13-12(7-14(18)17-13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 269.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 114455007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).