2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide

C19H14Cl2N4O3 — CID 6062814

IUPAC2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide
SMILESN#CCC(=O)N/N=C(\CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1
InChIInChI=1S/C19H14Cl2N4O3/c20-12-8-13-17(14(21)9-12)23-18(27)19(13,28)10-15(11-4-2-1-3-5-11)24-25-16(26)6-7-22/h1-5,8-9,28H,6,10H2,(H,23,27)(H,25,26)/b24-15+
InChIKeyFFOJXVAMYQIIGB-BUVRLJJBSA-N
MW417.25 g/mol
LogP2.96
Rot. Bonds5

About 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide

2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide (PubChem CID 6062814) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide
PubChem CID6062814
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC Name2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide
SMILESN#CCC(=O)N/N=C(\CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1
InChIInChI=1S/C19H14Cl2N4O3/c20-12-8-13-17(14(21)9-12)23-18(27)19(13,28)10-15(11-4-2-1-3-5-11)24-25-16(26)6-7-22/h1-5,8-9,28H,6,10H2,(H,23,27)(H,25,26)/b24-15+
InChIKeyFFOJXVAMYQIIGB-BUVRLJJBSA-N
XLogP2.96
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 92530343
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3-benzyl-5-chloro-3-hydroxy-8-methyl-1H-quinoline-2,4-dione
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2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide (CID 6062814) is 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide is N#CCC(=O)N/N=C(\CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide?
The InChIKey is FFOJXVAMYQIIGB-BUVRLJJBSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c20-12-8-13-17(14(21)9-12)23-18(27)19(13,28)10-15(11-4-2-1-3-5-11)24-25-16(26)6-7-22/h1-5,8-9,28H,6,10H2,(H,23,27)(H,25,26)/b24-15+.
What are the key properties of 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide?
2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide has a molecular weight of 417.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide is sourced from PubChem (CID 6062814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).