3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide

C17H12Cl2F3NO3 — CID 88964633

IUPAC3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C=O)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C17H12Cl2F3NO3/c1-2-26-15-13(18)5-10(6-14(15)19)16(25)23-11-4-3-9(8-24)12(7-11)17(20,21)22/h3-8H,2H2,1H3,(H,23,25)
InChIKeyXHDHTILMPJCFEN-UHFFFAOYSA-N
MW406.19 g/mol
LogP5.48
Rot. Bonds5

About 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide

3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 88964633) has the molecular formula C17H12Cl2F3NO3 and a molecular weight of 406.19 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID88964633
Molecular FormulaC17H12Cl2F3NO3
Molecular Weight406.19 g/mol
Exact Mass405.01
IUPAC Name3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C=O)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C17H12Cl2F3NO3/c1-2-26-15-13(18)5-10(6-14(15)19)16(25)23-11-4-3-9(8-24)12(7-11)17(20,21)22/h3-8H,2H2,1H3,(H,23,25)
InChIKeyXHDHTILMPJCFEN-UHFFFAOYSA-N
XLogP5.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.19
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7309263
3-bromo-4-ethoxy-N-(4-formylphenyl)-5-(trifluoromethyl)benzamide
CID 88538865
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
CID 88538932
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
CID 67977860

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide (CID 88964633) is 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(C=O)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XHDHTILMPJCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NO3/c1-2-26-15-13(18)5-10(6-14(15)19)16(25)23-11-4-3-9(8-24)12(7-11)17(20,21)22/h3-8H,2H2,1H3,(H,23,25).
What are the key properties of 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide?
3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 406.19 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 88964633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).