(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C12H12Cl2N2O2 — CID 132530671

IUPAC(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-2-1-7(9(14)5-8)6-15-12(18)10-3-4-11(17)16-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyJZIGGCUPZSGUSI-JTQLQIEISA-N
MW287.15 g/mol
LogP1.89
Rot. Bonds3

About (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 132530671) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID132530671
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-2-1-7(9(14)5-8)6-15-12(18)10-3-4-11(17)16-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyJZIGGCUPZSGUSI-JTQLQIEISA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2Z)-2-cyano-2-[5-[(2,4-dichlorophenyl)methylcarbamoyl]pyrrolidin-2-ylidene]acetate
CID 155807315
(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
CID 95040802
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445238
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 84925742

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 132530671) is (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N1.
What is the InChIKey of (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JZIGGCUPZSGUSI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-8-2-1-7(9(14)5-8)6-15-12(18)10-3-4-11(17)16-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 287.15 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 132530671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).