2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide

C13H18Cl2N2O — CID 27149947

IUPAC2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8-5-6-9(14)12(11(8)15)17-10(18)7-16-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyHPDMZIOZXHTIDI-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.63
Rot. Bonds3

About 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 27149947) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID27149947
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8-5-6-9(14)12(11(8)15)17-10(18)7-16-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyHPDMZIOZXHTIDI-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771647
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
CID 107907179
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
1-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81157002
2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64618728

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 27149947) is 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1Cl.
What is the InChIKey of 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is HPDMZIOZXHTIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8-5-6-9(14)12(11(8)15)17-10(18)7-16-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 289.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 27149947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).