3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide

C12H16ClNO3 — CID 63364651

IUPAC3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C12H16ClNO3/c1-8(15)10-7-9(13)3-4-11(10)17-6-5-12(16)14-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeySGTHKEGDVYDRDB-MRVPVSSYSA-N
MW257.72 g/mol
LogP1.91
Rot. Bonds5

About 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide

3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide (PubChem CID 63364651) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
PubChem CID63364651
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C12H16ClNO3/c1-8(15)10-7-9(13)3-4-11(10)17-6-5-12(16)14-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeySGTHKEGDVYDRDB-MRVPVSSYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
(1S)-1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 104929578
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide (CID 63364651) is 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O.
What is the InChIKey of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The InChIKey is SGTHKEGDVYDRDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(15)10-7-9(13)3-4-11(10)17-6-5-12(16)14-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63364651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).