1-benzyl-3-(4-chlorophenyl)iminoindol-2-one

C21H15ClN2O — CID 102334277

IUPAC1-benzyl-3-(4-chlorophenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H15ClN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-
InChIKeyADTVJYLRPRHFQC-ATJXCDBQSA-N
MW346.82 g/mol
LogP5.01
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one

1-benzyl-3-(4-chlorophenyl)iminoindol-2-one (PubChem CID 102334277) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)iminoindol-2-one
PubChem CID102334277
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name1-benzyl-3-(4-chlorophenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H15ClN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-
InChIKeyADTVJYLRPRHFQC-ATJXCDBQSA-N
XLogP5.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ldn-57444
CID 16760696
3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
1-(4-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 51537051
3-(3,4-Dichlorophenyl)imino-1-prop-2-enylindol-2-one
CID 3561805
3-((3-Chlorophenyl)imino)indolin-2-one
CID 135411932
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
CID 10067716
(3Z)-3-benzylidene-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44273821
(3E)-3-benzylidene-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44274078
1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-indol-2-one
CID 44336314
(3E)-1-benzyl-3-[(4-chlorophenyl)-phenylmethylidene]indol-2-one
CID 73356509
7-[(3E)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]-N-hydroxyheptanamide
CID 76331688

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one (CID 102334277) is 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one is O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one?
The InChIKey is ADTVJYLRPRHFQC-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)24(21(20)25)14-15-6-2-1-3-7-15/h1-13H,14H2/b23-20-.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one?
1-benzyl-3-(4-chlorophenyl)iminoindol-2-one has a molecular weight of 346.82 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)iminoindol-2-one is sourced from PubChem (CID 102334277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).