3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C23H19F3N2O3 — CID 28639289

IUPAC3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-8-3-5-16(13-20)22(30)27-18-11-9-15(10-12-18)21(29)28-19-7-4-6-17(14-19)23(24,25)26/h3-14H,2H2,1H3,(H,27,30)(H,28,29)
InChIKeyIGNOUUVFPHBPHA-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.61
Rot. Bonds6

About 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 28639289) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID28639289
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-8-3-5-16(13-20)22(30)27-18-11-9-15(10-12-18)21(29)28-19-7-4-6-17(14-19)23(24,25)26/h3-14H,2H2,1H3,(H,27,30)(H,28,29)
InChIKeyIGNOUUVFPHBPHA-UHFFFAOYSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
3-(2-phenoxyethoxy)-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 43887343
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
CID 154762615
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878311
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 28639289) is 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is IGNOUUVFPHBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-2-31-20-8-3-5-16(13-20)22(30)27-18-11-9-15(10-12-18)21(29)28-19-7-4-6-17(14-19)23(24,25)26/h3-14H,2H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 28639289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).