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

C13H17ClFNO2 — CID 151971582

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFNO2/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
InChIKeyUATTYDRJIKSRQS-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.63
Rot. Bonds4

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

N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 151971582) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID151971582
Molecular FormulaC13H17ClFNO2
Molecular Weight273.74 g/mol
Exact Mass273.09
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFNO2/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
InChIKeyUATTYDRJIKSRQS-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide (CID 151971582) is N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is UATTYDRJIKSRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/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-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide?
N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 273.74 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 151971582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).