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

C20H24ClNO2 — CID 7936062

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-18(17)22-19(23)12-24-20-14(3)10-16(21)11-15(20)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyRSVRXTQDTJEDSI-CYBMUJFWSA-N
MW345.87 g/mol
LogP5.49
Rot. Bonds6

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

N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide (PubChem CID 7936062) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
PubChem CID7936062
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-18(17)22-19(23)12-24-20-14(3)10-16(21)11-15(20)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyRSVRXTQDTJEDSI-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

N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7935639
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 8975980
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 19178086
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853854
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide (CID 7936062) is N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide is CC[C@@H](C)c1ccccc1NC(=O)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
The InChIKey is RSVRXTQDTJEDSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-18(17)22-19(23)12-24-20-14(3)10-16(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-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide?
N-[2-[(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-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7936062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).