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

C18H17BrN2O3 — CID 113177964

IUPAC2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)c2cccc(Br)c2)c1
InChIInChI=1S/C18H17BrN2O3/c1-12(22)14-5-3-7-16(9-14)20-18(24)11-21(13(2)23)17-8-4-6-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYGIZQUBYPGJJST-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.64
Rot. Bonds5

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

2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide (PubChem CID 113177964) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
PubChem CID113177964
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)c2cccc(Br)c2)c1
InChIInChI=1S/C18H17BrN2O3/c1-12(22)14-5-3-7-16(9-14)20-18(24)11-21(13(2)23)17-8-4-6-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYGIZQUBYPGJJST-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-4-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113173010
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
methyl 4-[acetyl-[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 113176469
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-3-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113177955
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide (CID 113177964) is 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CN(C(C)=O)c2cccc(Br)c2)c1.
What is the InChIKey of 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide?
The InChIKey is YGIZQUBYPGJJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-12(22)14-5-3-7-16(9-14)20-18(24)11-21(13(2)23)17-8-4-6-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of 2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide?
2-(N-acetyl-3-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-3-bromoanilino)-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113177964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).