N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H19Cl2FN2O2 — CID 9187328

IUPACN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2FN2O2/c1-12(15-10-18(23)17(22)11-16(15)21)24-19(26)9-13-4-6-14(7-5-13)25-8-2-3-20(25)27/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyLYXILTJUFHJTLE-GFCCVEGCSA-N
MW409.29 g/mol
LogP4.68
Rot. Bonds5

About N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 9187328) has the molecular formula C20H19Cl2FN2O2 and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID9187328
Molecular FormulaC20H19Cl2FN2O2
Molecular Weight409.29 g/mol
Exact Mass408.08
IUPAC NameN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2FN2O2/c1-12(15-10-18(23)17(22)11-16(15)21)24-19(26)9-13-4-6-14(7-5-13)25-8-2-3-20(25)27/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyLYXILTJUFHJTLE-GFCCVEGCSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9427052
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9152244
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51220443
(2R)-N-ethyl-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]propanamide
CID 9470724
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46666498
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25439790
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 30692289
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42059549

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 9187328) is N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is LYXILTJUFHJTLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O2/c1-12(15-10-18(23)17(22)11-16(15)21)24-19(26)9-13-4-6-14(7-5-13)25-8-2-3-20(25)27/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 409.29 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 9187328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).