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

C15H22ClNO3 — CID 63364503

IUPAC2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C15H22ClNO3/c1-4-12(5-2)17-15(19)9-20-14-7-6-11(16)8-13(14)10(3)18/h6-8,10,12,18H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyBZUMNLULVJNLKX-SNVBAGLBSA-N
MW299.80 g/mol
LogP3.08
Rot. Bonds7

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

2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide (PubChem CID 63364503) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
PubChem CID63364503
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C15H22ClNO3/c1-4-12(5-2)17-15(19)9-20-14-7-6-11(16)8-13(14)10(3)18/h6-8,10,12,18H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyBZUMNLULVJNLKX-SNVBAGLBSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63364651
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
methyl 3-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylpropanoate
CID 79624639
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide (CID 63364503) is 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(Cl)cc1[C@@H](C)O.
What is the InChIKey of 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is BZUMNLULVJNLKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-12(5-2)17-15(19)9-20-14-7-6-11(16)8-13(14)10(3)18/h6-8,10,12,18H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide?
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 299.80 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63364503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).