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

C17H11BrCl2N2O3 — CID 52944213

IUPAC[(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21
InChIInChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-13-7-11(18)2-5-15(13)22(17(16)24)8-10-6-12(19)3-4-14(10)20/h2-7H,8H2,1H3/b21-16+
InChIKeyWFWZTHILOPGFPK-LTGZKZEYSA-N
MW442.10 g/mol
LogP4.57
Rot. Bonds3

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

[(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (PubChem CID 52944213) has the molecular formula C17H11BrCl2N2O3 and a molecular weight of 442.10 g/mol. Its IUPAC name is [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
PubChem CID52944213
Molecular FormulaC17H11BrCl2N2O3
Molecular Weight442.10 g/mol
Exact Mass439.93
IUPAC Name[(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21
InChIInChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-13-7-11(18)2-5-15(13)22(17(16)24)8-10-6-12(19)3-4-14(10)20/h2-7H,8H2,1H3/b21-16+
InChIKeyWFWZTHILOPGFPK-LTGZKZEYSA-N
XLogP4.57
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.10
LogP ≤ 54.57
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
[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 51537051
3-(Acetoxyimino)-5-bromo-1-(3,4-dichlorobenzyl)indolin-2-one
CID 52943029
UCH-L1 Inhibitor
CID 24906255
1-{4-Bromo-2-[(e)-(hydroxyimino)(2-chloro-phenyl)methyl]phenyl}pyrrolidin-2-one
CID 129743855
[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] propanoate
CID 5524691
[(Z)-[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 5524720
[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-methylpropanoate
CID 5524916
[(Z)-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate
CID 5801714
1-(3-chlorobenzyl)-3-[(pentanoyloxy)imino]-1,3-dihydro-2H-indol-2-one
CID 9582013
[(3Z)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino pentanoate
CID 9582007
[[5-Bromo-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 75968477

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The IUPAC name of [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (CID 52944213) is [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The canonical SMILES for [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21.
What is the InChIKey of [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The InChIKey is WFWZTHILOPGFPK-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O3/c1-9(23)25-21-16-13-7-11(18)2-5-15(13)22(17(16)24)8-10-6-12(19)3-4-14(10)20/h2-7H,8H2,1H3/b21-16+.
What are the key properties of [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
[(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate has a molecular weight of 442.10 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-bromo-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is sourced from PubChem (CID 52944213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).