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

C13H18ClNO3 — CID 78931458

IUPAC3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C13H18ClNO3/c1-3-15-13(17)6-7-18-12-5-4-10(14)8-11(12)9(2)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyLPLMBCRCAVNEBH-SECBINFHSA-N
MW271.74 g/mol
LogP2.30
Rot. Bonds6

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

3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide (PubChem CID 78931458) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
PubChem CID78931458
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C13H18ClNO3/c1-3-15-13(17)6-7-18-12-5-4-10(14)8-11(12)9(2)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyLPLMBCRCAVNEBH-SECBINFHSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63364651
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 104929578
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide (CID 78931458) is 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1ccc(Cl)cc1[C@@H](C)O.
What is the InChIKey of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide?
The InChIKey is LPLMBCRCAVNEBH-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-15-13(17)6-7-18-12-5-4-10(14)8-11(12)9(2)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide?
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide has a molecular weight of 271.74 g/mol, XLogP of 2.30, 6 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-ethylpropanamide is sourced from PubChem (CID 78931458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).