N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide

C13H16F3NO2 — CID 121440014

IUPACN-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-4-13(2,3)12(18)17(19)7-8-5-9(14)6-10(15)11(8)16/h5-6,19H,4,7H2,1-3H3
InChIKeyRRHZFHZAVRUWFD-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.26
Rot. Bonds4

About N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide

N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide (PubChem CID 121440014) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
PubChem CID121440014
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-4-13(2,3)12(18)17(19)7-8-5-9(14)6-10(15)11(8)16/h5-6,19H,4,7H2,1-3H3
InChIKeyRRHZFHZAVRUWFD-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The IUPAC name of N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide (CID 121440014) is N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide.
What is the SMILES notation for N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The canonical SMILES for N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide is CCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1F.
What is the InChIKey of N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The InChIKey is RRHZFHZAVRUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-4-13(2,3)12(18)17(19)7-8-5-9(14)6-10(15)11(8)16/h5-6,19H,4,7H2,1-3H3.
What are the key properties of N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide is sourced from PubChem (CID 121440014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).