1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C17H15ClN2O3 — CID 662099

IUPAC1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C17H15ClN2O3/c1-11-13(18)8-5-9-14(11)19-16(21)10-15(17(19)22)20(23)12-6-3-2-4-7-12/h2-9,15,23H,10H2,1H3
InChIKeyQMTDKVJOBKJVSL-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 662099) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID662099
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C17H15ClN2O3/c1-11-13(18)8-5-9-14(11)19-16(21)10-15(17(19)22)20(23)12-6-3-2-4-7-12/h2-9,15,23H,10H2,1H3
InChIKeyQMTDKVJOBKJVSL-UHFFFAOYSA-N
XLogP3.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 662099) is 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is Cc1c(Cl)cccc1N1C(=O)CC(N(O)c2ccccc2)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is QMTDKVJOBKJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-13(18)8-5-9-14(11)19-16(21)10-15(17(19)22)20(23)12-6-3-2-4-7-12/h2-9,15,23H,10H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 330.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 662099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).