2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide

C17H19BrN2O — CID 107573574

IUPAC2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-11-4-6-14(7-5-11)20-16(21)10-19-15-8-12(2)17(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyGNTJLCKHSMSEGL-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide

2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 107573574) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
PubChem CID107573574
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-11-4-6-14(7-5-11)20-16(21)10-19-15-8-12(2)17(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyGNTJLCKHSMSEGL-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(4-bromo-3,5-dimethylanilino)acetic acid
CID 107573485
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide (CID 107573574) is 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is GNTJLCKHSMSEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-4-6-14(7-5-11)20-16(21)10-19-15-8-12(2)17(18)13(3)9-15/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide?
2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 107573574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).