2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide

C21H17ClN2O3 — CID 10339773

IUPAC2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide
SMILESO=C(NO)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H17ClN2O3/c22-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16-7-4-12-24(16)19(18)20(25)21(26)23-27/h1-3,5-6,8-11,27H,4,7,12H2,(H,23,26)
InChIKeyINNLEZKWNYFRQH-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.11
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide

2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide (PubChem CID 10339773) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide
PubChem CID10339773
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide
SMILESO=C(NO)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H17ClN2O3/c22-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16-7-4-12-24(16)19(18)20(25)21(26)23-27/h1-3,5-6,8-11,27H,4,7,12H2,(H,23,26)
InChIKeyINNLEZKWNYFRQH-UHFFFAOYSA-N
XLogP4.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 1-(4-chlorophenyl)-2-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335628
methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335623
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoacetic acid
CID 71166695
2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid
CID 14855731
3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid
CID 67855991
(E)-3-[2-(4-benzylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10835875
(E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10812881
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
(E)-3-[2-[4-(benzenesulfinyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10434070
N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 3956711
5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
CID 20826016
methyl 7-bromo-2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizine-3-carboxylate
CID 15429263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide (CID 10339773) is 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide is O=C(NO)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide?
The InChIKey is INNLEZKWNYFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-15-10-8-14(9-11-15)18-17(13-5-2-1-3-6-13)16-7-4-12-24(16)19(18)20(25)21(26)23-27/h1-3,5-6,8-11,27H,4,7,12H2,(H,23,26).
What are the key properties of 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide?
2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide has a molecular weight of 380.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide is sourced from PubChem (CID 10339773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).