2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H19F3N2O3 — CID 56593335

IUPAC2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyHMUUFDCCBCUQAV-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.61
Rot. Bonds6

About 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593335) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593335
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyHMUUFDCCBCUQAV-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593335) is 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HMUUFDCCBCUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)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 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).