N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

C17H11ClF3N3O3 — CID 22216811

IUPACN-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
SMILESNN(C(=O)c1ccc(Cl)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C17H11ClF3N3O3/c18-11-3-1-9(2-4-11)15(25)24(22)16(26)14-8-10-7-12(27-17(19,20)21)5-6-13(10)23-14/h1-8,23H,22H2
InChIKeyYNXTYWHHZGSGOU-UHFFFAOYSA-N
MW397.74 g/mol
LogP3.88
Rot. Bonds3

About N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide (PubChem CID 22216811) has the molecular formula C17H11ClF3N3O3 and a molecular weight of 397.74 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
PubChem CID22216811
Molecular FormulaC17H11ClF3N3O3
Molecular Weight397.74 g/mol
Exact Mass397.04
IUPAC NameN-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
SMILESNN(C(=O)c1ccc(Cl)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C17H11ClF3N3O3/c18-11-3-1-9(2-4-11)15(25)24(22)16(26)14-8-10-7-12(27-17(19,20)21)5-6-13(10)23-14/h1-8,23H,22H2
InChIKeyYNXTYWHHZGSGOU-UHFFFAOYSA-N
XLogP3.88
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The IUPAC name of N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide (CID 22216811) is N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide.
What is the SMILES notation for N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The canonical SMILES for N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide is NN(C(=O)c1ccc(Cl)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The InChIKey is YNXTYWHHZGSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O3/c18-11-3-1-9(2-4-11)15(25)24(22)16(26)14-8-10-7-12(27-17(19,20)21)5-6-13(10)23-14/h1-8,23H,22H2.
What are the key properties of N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide has a molecular weight of 397.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 22216811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).