1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide

C17H22ClN3O3 — CID 91452631

IUPAC1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide
SMILES[H]/N=C(/CC(=O)NC(=O)C1CCN1c1ccc(Cl)cc1)C(C)(C)CO
InChIInChI=1S/C17H22ClN3O3/c1-17(2,10-22)14(19)9-15(23)20-16(24)13-7-8-21(13)12-5-3-11(18)4-6-12/h3-6,13,19,22H,7-10H2,1-2H3,(H,20,23,24)/b19-14-
InChIKeySLBQAPUAFLWAAZ-RGEXLXHISA-N
MW351.83 g/mol
LogP1.99
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide

1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide (PubChem CID 91452631) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide
PubChem CID91452631
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide
SMILES[H]/N=C(/CC(=O)NC(=O)C1CCN1c1ccc(Cl)cc1)C(C)(C)CO
InChIInChI=1S/C17H22ClN3O3/c1-17(2,10-22)14(19)9-15(23)20-16(24)13-7-8-21(13)12-5-3-11(18)4-6-12/h3-6,13,19,22H,7-10H2,1-2H3,(H,20,23,24)/b19-14-
InChIKeySLBQAPUAFLWAAZ-RGEXLXHISA-N
XLogP1.99
TPSA93.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide (CID 91452631) is 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide is [H]/N=C(/CC(=O)NC(=O)C1CCN1c1ccc(Cl)cc1)C(C)(C)CO.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide?
The InChIKey is SLBQAPUAFLWAAZ-RGEXLXHISA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-17(2,10-22)14(19)9-15(23)20-16(24)13-7-8-21(13)12-5-3-11(18)4-6-12/h3-6,13,19,22H,7-10H2,1-2H3,(H,20,23,24)/b19-14-.
What are the key properties of 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide?
1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5-hydroxy-3-imino-4,4-dimethylpentanoyl)azetidine-2-carboxamide is sourced from PubChem (CID 91452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).