3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide

C17H13BrF3NO3 — CID 88538865

IUPAC3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(C=O)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H13BrF3NO3/c1-2-25-15-13(17(19,20)21)7-11(8-14(15)18)16(24)22-12-5-3-10(9-23)4-6-12/h3-9H,2H2,1H3,(H,22,24)
InChIKeyCXNGTMAGLXOPCB-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.93
Rot. Bonds5

About 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide

3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 88538865) has the molecular formula C17H13BrF3NO3 and a molecular weight of 416.19 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID88538865
Molecular FormulaC17H13BrF3NO3
Molecular Weight416.19 g/mol
Exact Mass415.00
IUPAC Name3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(C=O)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H13BrF3NO3/c1-2-25-15-13(17(19,20)21)7-11(8-14(15)18)16(24)22-12-5-3-10(9-23)4-6-12/h3-9H,2H2,1H3,(H,22,24)
InChIKeyCXNGTMAGLXOPCB-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide 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

3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
CID 88964633
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
methyl 3-bromo-4-(methoxymethoxy)-5-(trifluoromethyl)benzoate
CID 58629737
methyl 4-[(3,5-dibromo-4-ethoxyphenyl)carbamoyl]benzoate
CID 67041561
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
CID 84819728
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide (CID 88538865) is 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide is CCOc1c(Br)cc(C(=O)Nc2ccc(C=O)cc2)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is CXNGTMAGLXOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO3/c1-2-25-15-13(17(19,20)21)7-11(8-14(15)18)16(24)22-12-5-3-10(9-23)4-6-12/h3-9H,2H2,1H3,(H,22,24).
What are the key properties of 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide?
3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 416.19 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 88538865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).