3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

C19H14ClF3N4O2 — CID 123771134

IUPAC3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)NN=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H14ClF3N4O2/c20-15-7-13(6-14(8-15)19(21,22)23)18(29)25-10-17(28)27-26-9-11-1-2-16-12(5-11)3-4-24-16/h1-9,24H,10H2,(H,25,29)(H,27,28)
InChIKeyDEFSWAALDBFAEA-UHFFFAOYSA-N
MW422.79 g/mol
LogP3.72
Rot. Bonds5

About 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (PubChem CID 123771134) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
PubChem CID123771134
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)NN=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H14ClF3N4O2/c20-15-7-13(6-14(8-15)19(21,22)23)18(29)25-10-17(28)27-26-9-11-1-2-16-12(5-11)3-4-24-16/h1-9,24H,10H2,(H,25,29)(H,27,28)
InChIKeyDEFSWAALDBFAEA-UHFFFAOYSA-N
XLogP3.72
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (CID 123771134) is 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)NN=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is DEFSWAALDBFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c20-15-7-13(6-14(8-15)19(21,22)23)18(29)25-10-17(28)27-26-9-11-1-2-16-12(5-11)3-4-24-16/h1-9,24H,10H2,(H,25,29)(H,27,28).
What are the key properties of 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 422.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 123771134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).