4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C20H23F3N2O — CID 121256791

IUPAC4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESCCCCc1ccc(CCc2ccc(/C(N)=N/O)cc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19(24)25-26)13-18(16)20(21,22)23/h5-8,11-13,26H,2-4,9-10H2,1H3,(H2,24,25)
InChIKeyDKHNOKZRODPWMA-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.93
Rot. Bonds7

About 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 121256791) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID121256791
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESCCCCc1ccc(CCc2ccc(/C(N)=N/O)cc2C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19(24)25-26)13-18(16)20(21,22)23/h5-8,11-13,26H,2-4,9-10H2,1H3,(H2,24,25)
InChIKeyDKHNOKZRODPWMA-UHFFFAOYSA-N
XLogP4.93
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
CID 159992522
tert-butyl 2-[[4-[(E)-N'-hydroxycarbamimidoyl]-2-(trifluoromethyl)phenyl]methyl-methylamino]acetate
CID 87103417
4-(butylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43615816
1-butyl-4-[(1-methylcyclopropyl)methyl]-2-(trifluoromethyl)benzene
CID 123812969
2-[[(Z)-[(methylideneamino)-[4-[2-(4-propylphenyl)ethyl]-3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]pyrrolidine-1-carboximidamide
CID 155353282
N-hydroxy-4-pentylbenzenecarboximidoyl chloride
CID 145299970
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 121256791) is 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is CCCCc1ccc(CCc2ccc(/C(N)=N/O)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DKHNOKZRODPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19(24)25-26)13-18(16)20(21,22)23/h5-8,11-13,26H,2-4,9-10H2,1H3,(H2,24,25).
What are the key properties of 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 364.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 121256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).