4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide

C11H14ClNO3 — CID 568416

IUPAC4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NO
InChIInChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyJHSXDAWGLCZYSM-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.31
Rot. Bonds5

About 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide

4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide (PubChem CID 568416) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
PubChem CID568416
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NO
InChIInChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyJHSXDAWGLCZYSM-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 4-(4-chloro-2-methylphenoxy)-
CID 7207
MCPB-sodium
CID 23675729
MCPB-ethyl
CID 25286
MCPB-methyl
CID 521798
4-(4-Chloro-2-methylphenoxy)butanamide
CID 2287730
6-Chloro-2H-chromene-3-carboxamide
CID 55156
4-(4-Chloro-2-methylphenoxy)butanohydrazide
CID 3672669
(2-Amino-2-oxoethyl) 4-(4-chloro-2-methylphenoxy)butanoate
CID 4036069
2-(4-Chloro-2-methylphenoxy)acetamide
CID 81888
2-((4-Chloro-o-tolyl)oxy)-N-methoxyacetamide
CID 70656
(1-Amino-1-oxopropan-2-yl) 4-(4-chloro-2-methylphenoxy)butanoate
CID 5128909
4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide
CID 22915500

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide (CID 568416) is 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide is Cc1cc(Cl)ccc1OCCCC(=O)NO.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide?
The InChIKey is JHSXDAWGLCZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide?
4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide has a molecular weight of 243.69 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide is sourced from PubChem (CID 568416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).