3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide

C19H21BrN2O2 — CID 113124234

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-4-9-18(14(2)12-13)22(15(3)23)11-10-19(24)21-17-7-5-16(20)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyZGOWQIVBUPXVEQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.45
Rot. Bonds5

About 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide (PubChem CID 113124234) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
PubChem CID113124234
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-4-9-18(14(2)12-13)22(15(3)23)11-10-19(24)21-17-7-5-16(20)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyZGOWQIVBUPXVEQ-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-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 113124259
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide (CID 113124234) is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide?
The InChIKey is ZGOWQIVBUPXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-4-9-18(14(2)12-13)22(15(3)23)11-10-19(24)21-17-7-5-16(20)6-8-17/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)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-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 113124234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).