(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide

C15H18Cl2N2O2 — CID 93331026

IUPAC(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20)/t9-,11+/m0/s1
InChIKeyHKGVKNPTCDCNMW-GXSJLCMTSA-N
MW329.23 g/mol
LogP3.26
Rot. Bonds4

About (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93331026) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93331026
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20)/t9-,11+/m0/s1
InChIKeyHKGVKNPTCDCNMW-GXSJLCMTSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-1-(5-chloro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744134
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330664
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71955816
(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330707
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
CID 124850811
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187561
(2S)-2-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120614725
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 93331026) is (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HKGVKNPTCDCNMW-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20)/t9-,11+/m0/s1.
What are the key properties of (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93331026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).