2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide

C19H13Cl2N5O3 — CID 134130286

IUPAC2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)Nc1ccccc1
InChIInChI=1S/C19H13Cl2N5O3/c20-13-6-7-14(21)17-16(13)18(28)19(29)26(17)9-12-8-25(24-23-12)10-15(27)22-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,22,27)
InChIKeyFVBYXXICVIAUHN-UHFFFAOYSA-N
MW430.25 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide

2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 134130286) has the molecular formula C19H13Cl2N5O3 and a molecular weight of 430.25 g/mol. Its IUPAC name is 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide
PubChem CID134130286
Molecular FormulaC19H13Cl2N5O3
Molecular Weight430.25 g/mol
Exact Mass429.04
IUPAC Name2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)Nc1ccccc1
InChIInChI=1S/C19H13Cl2N5O3/c20-13-6-7-14(21)17-16(13)18(28)19(29)26(17)9-12-8-25(24-23-12)10-15(27)22-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,22,27)
InChIKeyFVBYXXICVIAUHN-UHFFFAOYSA-N
XLogP2.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide (CID 134130286) is 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is FVBYXXICVIAUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O3/c20-13-6-7-14(21)17-16(13)18(28)19(29)26(17)9-12-8-25(24-23-12)10-15(27)22-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,22,27).
What are the key properties of 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide?
2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide has a molecular weight of 430.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 134130286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).