3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide

C19H21BrN2O2 — CID 113132716

IUPAC3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-13-8-9-18(16(20)12-13)22(15(3)23)11-10-19(24)21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyKQTGHTDSOGNKAL-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.45
Rot. Bonds5

About 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide

3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113132716) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
PubChem CID113132716
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-13-8-9-18(16(20)12-13)22(15(3)23)11-10-19(24)21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyKQTGHTDSOGNKAL-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819
ethyl 2-[3-(N-acetyl-2,4-dimethylanilino)propanoylamino]benzoate
CID 113124278
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide (CID 113132716) is 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc(C)cc1Br.
What is the InChIKey of 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is KQTGHTDSOGNKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-8-9-18(16(20)12-13)22(15(3)23)11-10-19(24)21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide?
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 389.29 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113132716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).