1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide

C18H16F3N3O — CID 56519892

IUPAC1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
SMILESCCn1c(C(=O)NNc2cccc(C(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C18H16F3N3O/c1-2-24-15-9-4-3-6-12(15)10-16(24)17(25)23-22-14-8-5-7-13(11-14)18(19,20)21/h3-11,22H,2H2,1H3,(H,23,25)
InChIKeyPEYKWXXWNMWKKX-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.44
Rot. Bonds4

About 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide

1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide (PubChem CID 56519892) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
PubChem CID56519892
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
SMILESCCn1c(C(=O)NNc2cccc(C(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C18H16F3N3O/c1-2-24-15-9-4-3-6-12(15)10-16(24)17(25)23-22-14-8-5-7-13(11-14)18(19,20)21/h3-11,22H,2H2,1H3,(H,23,25)
InChIKeyPEYKWXXWNMWKKX-UHFFFAOYSA-N
XLogP4.44
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
CID 71902463
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-ethyl-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]indole-2-carboxamide
CID 75444716
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
CID 55343312
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
CID 52522890
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26842436

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide (CID 56519892) is 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide is CCn1c(C(=O)NNc2cccc(C(F)(F)F)c2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide?
The InChIKey is PEYKWXXWNMWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-2-24-15-9-4-3-6-12(15)10-16(24)17(25)23-22-14-8-5-7-13(11-14)18(19,20)21/h3-11,22H,2H2,1H3,(H,23,25).
What are the key properties of 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide?
1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide has a molecular weight of 347.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide is sourced from PubChem (CID 56519892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).