N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

C13H17F2NO2 — CID 151890382

IUPACN-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3
InChIKeySQPMQJPGOUAGHC-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.12
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 151890382) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID151890382
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3
InChIKeySQPMQJPGOUAGHC-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide 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

Ripa-56
CID 121439991
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
N-hydroxy-2,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121440014
N-hydroxy-2,2-dimethyl-N-[(2,3,4-trifluorophenyl)methyl]butanamide
CID 121440032
N-hydroxy-2,2-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]butanamide
CID 121440033
N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
CID 121440051
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclohexane-1-carboxamide
CID 121446676
N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
CID 121446684
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (CID 151890382) is N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is SQPMQJPGOUAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 257.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 151890382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).