N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide

C12H16ClNO3 — CID 13192552

IUPACN-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide
SMILESCC(C)(CO)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-12(2,8-15)11(16)14(17)7-9-5-3-4-6-10(9)13/h3-6,15,17H,7-8H2,1-2H3
InChIKeyPIYIYBKUWPMENA-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide

N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide (PubChem CID 13192552) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide
PubChem CID13192552
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide
SMILESCC(C)(CO)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-12(2,8-15)11(16)14(17)7-9-5-3-4-6-10(9)13/h3-6,15,17H,7-8H2,1-2H3
InChIKeyPIYIYBKUWPMENA-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide (CID 13192552) is N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide is CC(C)(CO)C(=O)N(O)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide?
The InChIKey is PIYIYBKUWPMENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-12(2,8-15)11(16)14(17)7-9-5-3-4-6-10(9)13/h3-6,15,17H,7-8H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide?
N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,3-dihydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 13192552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).