N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

C13H17F2NO2 — CID 121446684

IUPACN-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-6-10(14)11(15)7-9/h5-7,18H,4,8H2,1-3H3
InChIKeyBVSNZWPRMVHHAR-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.12
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 121446684) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID121446684
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-6-10(14)11(15)7-9/h5-7,18H,4,8H2,1-3H3
InChIKeyBVSNZWPRMVHHAR-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'}

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Related Compounds

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CID 92299
Ripa-56
CID 121439991
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CID 1741622
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
RIP1 kinase inhibitor 5
CID 151890382
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
N-Benzyl-N-hydroxy-4-phenyl-butyramide
CID 13670402
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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (CID 121446684) is N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is BVSNZWPRMVHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-6-10(14)11(15)7-9/h5-7,18H,4,8H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
N-[(3,4-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-[(3,4-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 121446684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).