3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

C17H17BrN2O3 — CID 109052632

IUPAC3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-23-10-9-19-16(21)12-5-4-6-13(11-12)17(22)20-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyIICVWPPAWMTECQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.08
Rot. Bonds6

About 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (PubChem CID 109052632) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
PubChem CID109052632
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-23-10-9-19-16(21)12-5-4-6-13(11-12)17(22)20-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyIICVWPPAWMTECQ-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (CID 109052632) is 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is IICVWPPAWMTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-23-10-9-19-16(21)12-5-4-6-13(11-12)17(22)20-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).