(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide

C24H27Cl2N3O3 — CID 139551721

IUPAC(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide
SMILESCC1(NC(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)C=C2CC3CC(CC23)C1
InChIInChI=1S/C24H27Cl2N3O3/c1-24(10-13-6-15-8-16(11-24)18(15)7-13)28-23(32)29-20(4-5-21(29)30)22(31)27-12-14-2-3-17(25)9-19(14)26/h2-3,9,11,13,15,18,20H,4-8,10,12H2,1H3,(H,27,31)(H,28,32)/t13?,15?,18?,20-,24?/m0/s1
InChIKeyNNMXNBPKIFQKEY-BHRDOHCXSA-N
MW476.40 g/mol
LogP4.45
Rot. Bonds4

About (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide

(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide (PubChem CID 139551721) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide
PubChem CID139551721
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide
SMILESCC1(NC(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)C=C2CC3CC(CC23)C1
InChIInChI=1S/C24H27Cl2N3O3/c1-24(10-13-6-15-8-16(11-24)18(15)7-13)28-23(32)29-20(4-5-21(29)30)22(31)27-12-14-2-3-17(25)9-19(14)26/h2-3,9,11,13,15,18,20H,4-8,10,12H2,1H3,(H,27,31)(H,28,32)/t13?,15?,18?,20-,24?/m0/s1
InChIKeyNNMXNBPKIFQKEY-BHRDOHCXSA-N
XLogP4.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551398
N-[(2,4-dichlorophenyl)methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 42641128
N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642598
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 44591948
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 67609073
N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 59303320
N-[(2,4-dichlorophenyl)methyl]-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 155815768
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25015842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide (CID 139551721) is (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide is CC1(NC(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)C=C2CC3CC(CC23)C1.
What is the InChIKey of (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide?
The InChIKey is NNMXNBPKIFQKEY-BHRDOHCXSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c1-24(10-13-6-15-8-16(11-24)18(15)7-13)28-23(32)29-20(4-5-21(29)30)22(31)27-12-14-2-3-17(25)9-19(14)26/h2-3,9,11,13,15,18,20H,4-8,10,12H2,1H3,(H,27,31)(H,28,32)/t13?,15?,18?,20-,24?/m0/s1.
What are the key properties of (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide has a molecular weight of 476.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2,4-dichlorophenyl)methyl]-1-N-(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)-5-oxopyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 139551721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).