2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide

C19H23BrN2O — CID 109008239

IUPAC2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(Br)c1
InChIInChI=1S/C19H23BrN2O/c1-13-9-10-17(15(20)11-13)21-12-18(23)22-16-8-6-5-7-14(16)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyVGAWGTVHLHCZIW-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.11
Rot. Bonds4

About 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide

2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide (PubChem CID 109008239) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide
PubChem CID109008239
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(Br)c1
InChIInChI=1S/C19H23BrN2O/c1-13-9-10-17(15(20)11-13)21-12-18(23)22-16-8-6-5-7-14(16)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyVGAWGTVHLHCZIW-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
CID 109010815
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
CID 28939357
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide (CID 109008239) is 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide?
The InChIKey is VGAWGTVHLHCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-13-9-10-17(15(20)11-13)21-12-18(23)22-16-8-6-5-7-14(16)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide?
2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide has a molecular weight of 375.31 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 109008239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).