N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide

C19H17F3N4O2 — CID 147657405

IUPACN'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
SMILESN#CCCCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-10-14(11-9-13)24-16-6-2-1-5-15(16)18(28)26-25-17(27)7-3-4-12-23/h1-2,5-6,8-11,24H,3-4,7H2,(H,25,27)(H,26,28)
InChIKeyGKRIZSWWYYMSNT-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.90
Rot. Bonds6

About N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide

N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide (PubChem CID 147657405) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
PubChem CID147657405
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
SMILESN#CCCCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-10-14(11-9-13)24-16-6-2-1-5-15(16)18(28)26-25-17(27)7-3-4-12-23/h1-2,5-6,8-11,24H,3-4,7H2,(H,25,27)(H,26,28)
InChIKeyGKRIZSWWYYMSNT-UHFFFAOYSA-N
XLogP3.90
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
tert-butyl N-methyl-N-[4-oxo-4-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]butyl]carbamate
CID 155211826
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
CID 158882728
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
CID 155211855
3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
CID 155223984
ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
CID 155712990

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide?
The IUPAC name of N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide (CID 147657405) is N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide.
What is the SMILES notation for N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide?
The canonical SMILES for N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide is N#CCCCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide?
The InChIKey is GKRIZSWWYYMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-10-14(11-9-13)24-16-6-2-1-5-15(16)18(28)26-25-17(27)7-3-4-12-23/h1-2,5-6,8-11,24H,3-4,7H2,(H,25,27)(H,26,28).
What are the key properties of N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide?
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide has a molecular weight of 390.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide is sourced from PubChem (CID 147657405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).