N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C20H19Cl2N3O3 — CID 27003765

IUPACN-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)CN1C[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C20H19Cl2N3O3/c1-28-20-14(7-16(21)9-17(20)22)10-23-24-18(26)12-25-11-15(8-19(25)27)13-5-3-2-4-6-13/h2-7,9-10,15H,8,11-12H2,1H3,(H,24,26)/b23-10-/t15-/m0/s1
InChIKeyKKHPTOGRABLGJF-MBTNSHOVSA-N
MW420.30 g/mol
LogP3.47
Rot. Bonds6

About N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 27003765) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID27003765
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC NameN-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)CN1C[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C20H19Cl2N3O3/c1-28-20-14(7-16(21)9-17(20)22)10-23-24-18(26)12-25-11-15(8-19(25)27)13-5-3-2-4-6-13/h2-7,9-10,15H,8,11-12H2,1H3,(H,24,26)/b23-10-/t15-/m0/s1
InChIKeyKKHPTOGRABLGJF-MBTNSHOVSA-N
XLogP3.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733
N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5079637
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135685437
2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 135606314
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27153975
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 3674967
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 998134
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1104437
N-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 27003765) is N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)CN1C[C@@H](c2ccccc2)CC1=O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is KKHPTOGRABLGJF-MBTNSHOVSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-28-20-14(7-16(21)9-17(20)22)10-23-24-18(26)12-25-11-15(8-19(25)27)13-5-3-2-4-6-13/h2-7,9-10,15H,8,11-12H2,1H3,(H,24,26)/b23-10-/t15-/m0/s1.
What are the key properties of N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 420.30 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 27003765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).