2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide

C18H17BrN2O3 — CID 113173010

IUPAC2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN2O3/c1-12(22)14-4-3-5-16(10-14)20-18(24)11-21(13(2)23)17-8-6-15(19)7-9-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyHWOOPZIGDWLTLI-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.64
Rot. Bonds5

About 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide

2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide (PubChem CID 113173010) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
PubChem CID113173010
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN2O3/c1-12(22)14-4-3-5-16(10-14)20-18(24)11-21(13(2)23)17-8-6-15(19)7-9-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyHWOOPZIGDWLTLI-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
methyl 3-[[2-[N-acetyl-4-(diethylamino)anilino]acetyl]amino]benzoate
CID 113176932
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
methyl 3-[[2-(N-acetyl-4-propan-2-ylanilino)acetyl]amino]benzoate
CID 113169884
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide (CID 113173010) is 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CN(C(C)=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide?
The InChIKey is HWOOPZIGDWLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-12(22)14-4-3-5-16(10-14)20-18(24)11-21(13(2)23)17-8-6-15(19)7-9-17/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide?
2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113173010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).