2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide

C18H17BrN2O4 — CID 2796422

IUPAC2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2cc(Br)ccc2NC(C)=O)cc1
InChIInChI=1S/C18H17BrN2O4/c1-3-25-14-7-5-13(6-8-14)21-18(24)17(23)15-10-12(19)4-9-16(15)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZFNJQGYJDVINDR-UHFFFAOYSA-N
MW405.25 g/mol
LogP3.63
Rot. Bonds6

About 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide

2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide (PubChem CID 2796422) has the molecular formula C18H17BrN2O4 and a molecular weight of 405.25 g/mol. Its IUPAC name is 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide
PubChem CID2796422
Molecular FormulaC18H17BrN2O4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC Name2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2cc(Br)ccc2NC(C)=O)cc1
InChIInChI=1S/C18H17BrN2O4/c1-3-25-14-7-5-13(6-8-14)21-18(24)17(23)15-10-12(19)4-9-16(15)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZFNJQGYJDVINDR-UHFFFAOYSA-N
XLogP3.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
CID 107019834
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
5-bromo-2-(4-ethoxyanilino)benzenecarbothioamide
CID 114891148
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-ethoxyphenyl)-2-oxo-2-(2-prop-1-en-2-ylhydrazinyl)acetamide
CID 2252294
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide (CID 2796422) is 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)c2cc(Br)ccc2NC(C)=O)cc1.
What is the InChIKey of 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The InChIKey is ZFNJQGYJDVINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4/c1-3-25-14-7-5-13(6-8-14)21-18(24)17(23)15-10-12(19)4-9-16(15)20-11(2)22/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide has a molecular weight of 405.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-bromophenyl)-N-(4-ethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 2796422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).