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

C19H19Cl2N5O3 — CID 134130610

IUPACN-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)NC1CCCCC1
InChIInChI=1S/C19H19Cl2N5O3/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/h6-8,11H,1-5,9-10H2,(H,22,27)
InChIKeyINXAPSFXSJPIAX-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.76
Rot. Bonds5

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

N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide (PubChem CID 134130610) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide
PubChem CID134130610
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC NameN-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)NC1CCCCC1
InChIInChI=1S/C19H19Cl2N5O3/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/h6-8,11H,1-5,9-10H2,(H,22,27)
InChIKeyINXAPSFXSJPIAX-UHFFFAOYSA-N
XLogP2.76
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.76
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 N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide (CID 134130610) is N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide is O=C(Cn1cc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)nn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide?
The InChIKey is INXAPSFXSJPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/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/h6-8,11H,1-5,9-10H2,(H,22,27).
What are the key properties of N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide?
N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide has a molecular weight of 436.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134130610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).