(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide

C14H20ClNO2 — CID 10516151

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-5-10(3)16-14(17)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyBGYMOOBERLMCFE-WDEREUQCSA-N
MW269.77 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 10516151) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID10516151
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-5-10(3)16-14(17)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyBGYMOOBERLMCFE-WDEREUQCSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
CID 82917275
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
N-butan-2-yl-2-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 55563733

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide (CID 10516151) is (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide is CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is BGYMOOBERLMCFE-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-10(3)16-14(17)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide?
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 10516151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).