2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

C13H18ClNO3 — CID 103920103

IUPAC2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-10(14)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17)/t9?,11-/m1/s1
InChIKeyODRASXUWOMFXDW-HCCKASOXSA-N
MW271.74 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (PubChem CID 103920103) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
PubChem CID103920103
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-10(14)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17)/t9?,11-/m1/s1
InChIKeyODRASXUWOMFXDW-HCCKASOXSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2R)-2-[2-(4-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823311
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (CID 103920103) is 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is CC[C@H](CO)NC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is ODRASXUWOMFXDW-HCCKASOXSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)9(2)18-12-6-4-10(14)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3,(H,15,17)/t9?,11-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 271.74 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 103920103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).