N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H19Cl2NO3 — CID 110000203

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-14(2,3)20-8-13(19)17-7-12(18)10-5-4-9(15)6-11(10)16/h4-6,12,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyAFLCACQSOIONNM-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 110000203) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID110000203
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-14(2,3)20-8-13(19)17-7-12(18)10-5-4-9(15)6-11(10)16/h4-6,12,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyAFLCACQSOIONNM-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide
CID 142628085
methyl (Z)-5-(2,4-dichlorophenyl)-3,5-dihydroxypent-2-enoate
CID 134105150
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
CID 111115685

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 110000203) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is AFLCACQSOIONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-14(2,3)20-8-13(19)17-7-12(18)10-5-4-9(15)6-11(10)16/h4-6,12,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 320.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 110000203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).