[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

C17H11Cl3N2O3 — CID 51537051

IUPAC[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16+
InChIKeyOPQRFPHLZZPCCH-LTGZKZEYSA-N
MW397.65 g/mol
LogP4.46
Rot. Bonds3

About [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (PubChem CID 51537051) has the molecular formula C17H11Cl3N2O3 and a molecular weight of 397.65 g/mol. Its IUPAC name is [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
PubChem CID51537051
Molecular FormulaC17H11Cl3N2O3
Molecular Weight397.65 g/mol
Exact Mass395.98
IUPAC Name[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16+
InChIKeyOPQRFPHLZZPCCH-LTGZKZEYSA-N
XLogP4.46
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ldn-57444
CID 16760696
3-(3,4-Dichlorophenyl)imino-1-prop-2-enylindol-2-one
CID 3561805
3-[(acetyloxy)imino]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 9581782
3-(Acetoxyimino)-1-(3,4-dichlorobenzyl)-5-iodoindolin-2-one
CID 52940990
3-(Acetoxyimino)-5-bromo-1-(2,5-dichlorobenzyl)indolin-2-one
CID 52944213
7-[(3E)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]-N-hydroxyheptanamide
CID 76331688
UCH-L1 Inhibitor
CID 24906255
1-Benzyl-3-(4-chlorophenyl)iminoindol-2-one
CID 102334277
1-benzyl-5-chloro-1,3-dihydro-2H-indol-2-one
CID 11172924
1-Benzyl-5-chloro-3-(2,2,2-trifluoroethylimino)indol-2-one
CID 164679568
(3Z)-5-chloro-3-[(4-chlorophenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135479748
1-(2,6-dichlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 3692930

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The IUPAC name of [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (CID 51537051) is [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The canonical SMILES for [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21.
What is the InChIKey of [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The InChIKey is OPQRFPHLZZPCCH-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16+.
What are the key properties of [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate has a molecular weight of 397.65 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is sourced from PubChem (CID 51537051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).