4-bromo-2-ethoxy-3-phenylbenzamide

C15H14BrNO2 — CID 71304584

IUPAC4-bromo-2-ethoxy-3-phenylbenzamide
SMILESCCOc1c(C(N)=O)ccc(Br)c1-c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-2-19-14-11(15(17)18)8-9-12(16)13(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyNTBPBAKJVPWHTN-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.61
Rot. Bonds4

About 4-bromo-2-ethoxy-3-phenylbenzamide

4-bromo-2-ethoxy-3-phenylbenzamide (PubChem CID 71304584) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-3-phenylbenzamide.

Molecular Properties

Compound Name4-bromo-2-ethoxy-3-phenylbenzamide
PubChem CID71304584
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-2-ethoxy-3-phenylbenzamide
SMILESCCOc1c(C(N)=O)ccc(Br)c1-c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-2-19-14-11(15(17)18)8-9-12(16)13(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyNTBPBAKJVPWHTN-UHFFFAOYSA-N
XLogP3.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-ethoxy-3-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
3,5-dibromo-2-ethoxybenzamide
CID 50880217
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
CID 68765513
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 68765514
ethyl 3-ethoxy-2-fluoro-5-hydroxy-4-phenylbenzoate
CID 90423909
ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
CID 13373699
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
CID 123747455
3-pentan-2-yl-2-phenylbenzamide
CID 68993788
benzamide;1,4-diethoxybenzene
CID 162120306

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-3-phenylbenzamide?
The IUPAC name of 4-bromo-2-ethoxy-3-phenylbenzamide (CID 71304584) is 4-bromo-2-ethoxy-3-phenylbenzamide.
What is the SMILES notation for 4-bromo-2-ethoxy-3-phenylbenzamide?
The canonical SMILES for 4-bromo-2-ethoxy-3-phenylbenzamide is CCOc1c(C(N)=O)ccc(Br)c1-c1ccccc1.
What is the InChIKey of 4-bromo-2-ethoxy-3-phenylbenzamide?
The InChIKey is NTBPBAKJVPWHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-2-19-14-11(15(17)18)8-9-12(16)13(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18).
What are the key properties of 4-bromo-2-ethoxy-3-phenylbenzamide?
4-bromo-2-ethoxy-3-phenylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-3-phenylbenzamide is sourced from PubChem (CID 71304584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).