2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide

C15H23ClN2O2 — CID 47123138

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(2)11(4)18-15(19)8-17-13-6-10(3)12(16)7-14(13)20-5/h6-7,9,11,17H,8H2,1-5H3,(H,18,19)
InChIKeyWFJLRJSGVYAYAE-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 47123138) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID47123138
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(2)11(4)18-15(19)8-17-13-6-10(3)12(16)7-14(13)20-5/h6-7,9,11,17H,8H2,1-5H3,(H,18,19)
InChIKeyWFJLRJSGVYAYAE-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 109007861
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109011102
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
CID 66044486

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 47123138) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide is COc1cc(Cl)c(C)cc1NCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WFJLRJSGVYAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-9(2)11(4)18-15(19)8-17-13-6-10(3)12(16)7-14(13)20-5/h6-7,9,11,17H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 298.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47123138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).