2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide

C13H18ClNO3 — CID 113389923

IUPAC2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc([C@@H](C)O)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C13H18ClNO3/c1-8(16)10-5-6-12(11(14)7-10)18-9(2)13(17)15(3)4/h5-9,16H,1-4H3/t8-,9?/m1/s1
InChIKeyOPGQZWIKQCAWQZ-VEDVMXKPSA-N
MW271.74 g/mol
LogP2.25
Rot. Bonds4

About 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide

2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 113389923) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID113389923
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc([C@@H](C)O)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C13H18ClNO3/c1-8(16)10-5-6-12(11(14)7-10)18-9(2)13(17)15(3)4/h5-9,16H,1-4H3/t8-,9?/m1/s1
InChIKeyOPGQZWIKQCAWQZ-VEDVMXKPSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-(2,5-dichloro-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82914905
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 82032140
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43279455

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide (CID 113389923) is 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide is CC(Oc1ccc([C@@H](C)O)cc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is OPGQZWIKQCAWQZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(16)10-5-6-12(11(14)7-10)18-9(2)13(17)15(3)4/h5-9,16H,1-4H3/t8-,9?/m1/s1.
What are the key properties of 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide?
2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 271.74 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 113389923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).