N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide

C14H20F3N3O — CID 43572150

IUPACN'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCCC(C)N(C)c1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C14H20F3N3O/c1-4-5-9(2)20(3)12-7-6-10(14(15,16)17)8-11(12)13(18)19-21/h6-9,21H,4-5H2,1-3H3,(H2,18,19)
InChIKeyNNSSKKOBUAHVCG-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.42
Rot. Bonds5

About N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43572150) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43572150
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCCC(C)N(C)c1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C14H20F3N3O/c1-4-5-9(2)20(3)12-7-6-10(14(15,16)17)8-11(12)13(18)19-21/h6-9,21H,4-5H2,1-3H3,(H2,18,19)
InChIKeyNNSSKKOBUAHVCG-UHFFFAOYSA-N
XLogP3.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzoic acid
CID 63514147
N'-hydroxy-2-[methyl(pentyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43294939
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 54879441
2-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 76996444
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43296689
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929868
1-ethyl-3-[2-[(Z)-N'-hydroxycarbamimidoyl]-4-(trifluoromethyl)phenyl]urea
CID 115911706
N'-hydroxy-2-phenylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43331404
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 79177638

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide (CID 43572150) is N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide is CCCC(C)N(C)c1ccc(C(F)(F)F)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is NNSSKKOBUAHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-4-5-9(2)20(3)12-7-6-10(14(15,16)17)8-11(12)13(18)19-21/h6-9,21H,4-5H2,1-3H3,(H2,18,19).
What are the key properties of N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 303.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43572150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).