2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide

C16H20ClN3O2 — CID 171980680

IUPAC2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide
SMILESC/C(CC(=O)N1CCCC1)=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-12(10-16(22)20-8-2-3-9-20)18-19-15(21)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3,(H,19,21)/b18-12+
InChIKeyUOBRFGKFXJQQFZ-LDADJPATSA-N
MW321.81 g/mol
LogP2.39
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide

2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide (PubChem CID 171980680) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide
PubChem CID171980680
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide
SMILESC/C(CC(=O)N1CCCC1)=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-12(10-16(22)20-8-2-3-9-20)18-19-15(21)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3,(H,19,21)/b18-12+
InChIKeyUOBRFGKFXJQQFZ-LDADJPATSA-N
XLogP2.39
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
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CID 94667978
(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 7321134
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
CID 170159866
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
CID 23738201
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide (CID 171980680) is 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide is C/C(CC(=O)N1CCCC1)=N\NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide?
The InChIKey is UOBRFGKFXJQQFZ-LDADJPATSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-12(10-16(22)20-8-2-3-9-20)18-19-15(21)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3,(H,19,21)/b18-12+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide?
2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide has a molecular weight of 321.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide is sourced from PubChem (CID 171980680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).