2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide

C18H19BrN2O2 — CID 113168590

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Br)c1cc(C)cc(C)c1
InChIInChI=1S/C18H19BrN2O2/c1-12-8-13(2)10-15(9-12)21(14(3)22)11-18(23)20-17-7-5-4-6-16(17)19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVITBTZAHSLWGEV-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.06
Rot. Bonds4

About 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide (PubChem CID 113168590) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
PubChem CID113168590
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Br)c1cc(C)cc(C)c1
InChIInChI=1S/C18H19BrN2O2/c1-12-8-13(2)10-15(9-12)21(14(3)22)11-18(23)20-17-7-5-4-6-16(17)19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVITBTZAHSLWGEV-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
2-(N-acetyl-2,6-difluoroanilino)-N-(2-bromophenyl)acetamide
CID 113181523
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113173092
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113178206

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide (CID 113168590) is 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1Br)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide?
The InChIKey is VITBTZAHSLWGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-8-13(2)10-15(9-12)21(14(3)22)11-18(23)20-17-7-5-4-6-16(17)19/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 113168590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).