3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one

C21H15ClN2O2 — CID 70319511

IUPAC3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one
SMILESCc1ccc(/N=C2/C(=O)N(c3ccc(O)cc3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H15ClN2O2/c1-13-6-7-14(12-18(13)22)23-20-17-4-2-3-5-19(17)24(21(20)26)15-8-10-16(25)11-9-15/h2-12,25H,1H3/b23-20+
InChIKeyLAXPVWYFMQNVSO-BSYVCWPDSA-N
MW362.82 g/mol
LogP5.15
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one

3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one (PubChem CID 70319511) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one
PubChem CID70319511
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one
SMILESCc1ccc(/N=C2/C(=O)N(c3ccc(O)cc3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H15ClN2O2/c1-13-6-7-14(12-18(13)22)23-20-17-4-2-3-5-19(17)24(21(20)26)15-8-10-16(25)11-9-15/h2-12,25H,1H3/b23-20+
InChIKeyLAXPVWYFMQNVSO-BSYVCWPDSA-N
XLogP5.15
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one (CID 70319511) is 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one is Cc1ccc(/N=C2/C(=O)N(c3ccc(O)cc3)c3ccccc32)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one?
The InChIKey is LAXPVWYFMQNVSO-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-13-6-7-14(12-18(13)22)23-20-17-4-2-3-5-19(17)24(21(20)26)15-8-10-16(25)11-9-15/h2-12,25H,1H3/b23-20+.
What are the key properties of 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one?
3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one has a molecular weight of 362.82 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)imino-1-(4-hydroxyphenyl)indol-2-one is sourced from PubChem (CID 70319511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).