N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide

C18H20ClNO3 — CID 134104626

IUPACN-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide
SMILESCC(C)(COc1ccccc1)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-18(2,13-23-15-9-4-3-5-10-15)17(21)20(22)12-14-8-6-7-11-16(14)19/h3-11,22H,12-13H2,1-2H3
InChIKeyFGDNIDPHOXUICP-UHFFFAOYSA-N
MW333.81 g/mol
LogP4.16
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide

N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide (PubChem CID 134104626) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide
PubChem CID134104626
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide
SMILESCC(C)(COc1ccccc1)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-18(2,13-23-15-9-4-3-5-10-15)17(21)20(22)12-14-8-6-7-11-16(14)19/h3-11,22H,12-13H2,1-2H3
InChIKeyFGDNIDPHOXUICP-UHFFFAOYSA-N
XLogP4.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
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'}

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Related Compounds

2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide
CID 134116378
[(2-chlorophenyl)methyl-(2,2-dimethylpropanoyl)amino] carbamate
CID 54413851
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
N-tert-butyl-2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132708573
2-methyl-2-(phenoxymethyl)butan-1-ol
CID 86182983
[(3-chloro-2,2-dimethylpropanoyl)-[(2-chlorophenyl)methyl]amino] 2,2,2-trichloroethyl carbonate
CID 13192538
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
[3-[(2-chlorophenoxy)methyl-hydroxyamino]-2,2-dimethyl-3-oxopropyl] acetate;propanamide
CID 174433828

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide (CID 134104626) is N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide is CC(C)(COc1ccccc1)C(=O)N(O)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide?
The InChIKey is FGDNIDPHOXUICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-18(2,13-23-15-9-4-3-5-10-15)17(21)20(22)12-14-8-6-7-11-16(14)19/h3-11,22H,12-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide?
N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide has a molecular weight of 333.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide is sourced from PubChem (CID 134104626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).