3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one

C18H17ClF2N2O2 — CID 146134070

IUPAC3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(NCC(O)c2ccc(Cl)c(F)c2)CCN1c1ccccc1F
InChIInChI=1S/C18H17ClF2N2O2/c19-12-6-5-11(9-14(12)21)17(24)10-22-15-7-8-23(18(15)25)16-4-2-1-3-13(16)20/h1-6,9,15,17,22,24H,7-8,10H2
InChIKeyFJYXVSCZCJIWSC-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.05
Rot. Bonds5

About 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one

3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 146134070) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID146134070
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(NCC(O)c2ccc(Cl)c(F)c2)CCN1c1ccccc1F
InChIInChI=1S/C18H17ClF2N2O2/c19-12-6-5-11(9-14(12)21)17(24)10-22-15-7-8-23(18(15)25)16-4-2-1-3-13(16)20/h1-6,9,15,17,22,24H,7-8,10H2
InChIKeyFJYXVSCZCJIWSC-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-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

(1S)-1-(4-chloro-3-fluorophenyl)-2-(oxan-4-ylamino)ethanol
CID 97328969
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 95779909
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
6-chloro-N-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 21114323

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 146134070) is 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one is O=C1C(NCC(O)c2ccc(Cl)c(F)c2)CCN1c1ccccc1F.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is FJYXVSCZCJIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c19-12-6-5-11(9-14(12)21)17(24)10-22-15-7-8-23(18(15)25)16-4-2-1-3-13(16)20/h1-6,9,15,17,22,24H,7-8,10H2.
What are the key properties of 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 366.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 146134070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).