2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide

C19H21BrN2O2 — CID 113177946

IUPAC2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)15-7-9-17(10-8-15)21-19(24)12-22(14(3)23)18-6-4-5-16(20)11-18/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyQXHVSNLQQFDAFC-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.56
Rot. Bonds5

About 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113177946) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113177946
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)15-7-9-17(10-8-15)21-19(24)12-22(14(3)23)18-6-4-5-16(20)11-18/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyQXHVSNLQQFDAFC-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
methyl 3-[[2-(N-acetyl-4-propan-2-ylanilino)acetyl]amino]benzoate
CID 113169884
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-(N-acetyl-3-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113177955

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 113177946) is 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QXHVSNLQQFDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)15-7-9-17(10-8-15)21-19(24)12-22(14(3)23)18-6-4-5-16(20)11-18/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113177946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).