N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide

C14H16F3N3O4 — CID 5118299

IUPACN-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O4/c1-2-24-10-5-3-9(4-6-10)18-11(21)7-8-12(22)19-20-13(23)14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyKJYNINMIESBJAG-UHFFFAOYSA-N
MW347.29 g/mol
LogP1.51
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide

N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide (PubChem CID 5118299) has the molecular formula C14H16F3N3O4 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
PubChem CID5118299
Molecular FormulaC14H16F3N3O4
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC NameN-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O4/c1-2-24-10-5-3-9(4-6-10)18-11(21)7-8-12(22)19-20-13(23)14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyKJYNINMIESBJAG-UHFFFAOYSA-N
XLogP1.51
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2427339
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide (CID 5118299) is N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide is CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide?
The InChIKey is KJYNINMIESBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O4/c1-2-24-10-5-3-9(4-6-10)18-11(21)7-8-12(22)19-20-13(23)14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide?
N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide has a molecular weight of 347.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide is sourced from PubChem (CID 5118299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).