(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide

C11H10Cl2N2O2 — CID 26469933

IUPAC(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C11H10Cl2N2O2/c12-6-3-7(13)5-8(4-6)14-11(17)9-1-2-10(16)15-9/h3-5,9H,1-2H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyYUGUPSLNMWLMIL-VIFPVBQESA-N
MW273.12 g/mol
LogP2.21
Rot. Bonds2

About (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 26469933) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID26469933
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C11H10Cl2N2O2/c12-6-3-7(13)5-8(4-6)14-11(17)9-1-2-10(16)15-9/h3-5,9H,1-2H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyYUGUPSLNMWLMIL-VIFPVBQESA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
CID 146122047
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 26469933) is (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)N1.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YUGUPSLNMWLMIL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-6-3-7(13)5-8(4-6)14-11(17)9-1-2-10(16)15-9/h3-5,9H,1-2H2,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 273.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 26469933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).