[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

C17H12Cl2N2O3 — CID 1483676

IUPAC[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)24-20-16-14-8-13(19)6-7-15(14)21(17(16)23)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyNZUDJYXIEXZSKT-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.81
Rot. Bonds3

About [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (PubChem CID 1483676) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.

Molecular Properties

Compound Name[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
PubChem CID1483676
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
SMILESCC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)24-20-16-14-8-13(19)6-7-15(14)21(17(16)23)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyNZUDJYXIEXZSKT-UHFFFAOYSA-N
XLogP3.81
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.81
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

[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] (2R)-2-chloropropanoate
CID 7033401
(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 142732110
[[1-[(4-chlorophenyl)methyl]-5-nitro-2-oxoindol-3-ylidene]amino] 3-chloropropanoate
CID 2768697
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
[[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate
CID 2766661
[[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
CID 1486904
[(E)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,6-dichlorobenzoate
CID 6165319
5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
[[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
CID 2766842
(3Z)-1-benzyl-5-chloro-3-[(E)-(2-iodo-1,3,3-triphenylprop-2-enylidene)hydrazinylidene]indol-2-one
CID 177493107
1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106
2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
CID 150679382

Frequently Asked Questions

What is the IUPAC name of [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The IUPAC name of [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate (CID 1483676) is [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate.
What is the SMILES notation for [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The canonical SMILES for [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21.
What is the InChIKey of [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
The InChIKey is NZUDJYXIEXZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-10(22)24-20-16-14-8-13(19)6-7-15(14)21(17(16)23)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3.
What are the key properties of [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate?
[[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate has a molecular weight of 363.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-chloro-1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate is sourced from PubChem (CID 1483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).