N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide

C20H24ClNO2 — CID 7935639

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)16-6-8-18(9-7-16)22-19(23)12-24-20-14(3)10-17(21)11-15(20)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyTXMCDIRQKIUMCQ-CYBMUJFWSA-N
MW345.87 g/mol
LogP5.49
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide

N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide (PubChem CID 7935639) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
PubChem CID7935639
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)16-6-8-18(9-7-16)22-19(23)12-24-20-14(3)10-17(21)11-15(20)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyTXMCDIRQKIUMCQ-CYBMUJFWSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7936062
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide (CID 7935639) is N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide is CC[C@@H](C)c1ccc(NC(=O)COc2c(C)cc(Cl)cc2C)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The InChIKey is TXMCDIRQKIUMCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-13(2)16-6-8-18(9-7-16)22-19(23)12-24-20-14(3)10-17(21)11-15(20)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide has a molecular weight of 345.87 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7935639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).