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

C16H12Cl2F3NO2 — CID 1297495

IUPAC3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2F3NO2/c1-2-24-14-12(17)7-9(8-13(14)18)15(23)22-11-5-3-10(4-6-11)16(19,20)21/h3-8H,2H2,1H3,(H,22,23)
InChIKeyTVTWFKCAWJHBKA-UHFFFAOYSA-N
MW378.18 g/mol
LogP5.66
Rot. Bonds4

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

3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 1297495) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID1297495
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2F3NO2/c1-2-24-14-12(17)7-9(8-13(14)18)15(23)22-11-5-3-10(4-6-11)16(19,20)21/h3-8H,2H2,1H3,(H,22,23)
InChIKeyTVTWFKCAWJHBKA-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.18
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
CID 88964633
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7309263
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
ethyl 2,2-difluoro-2-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]acetate
CID 142688452

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide (CID 1297495) is 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TVTWFKCAWJHBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-2-24-14-12(17)7-9(8-13(14)18)15(23)22-11-5-3-10(4-6-11)16(19,20)21/h3-8H,2H2,1H3,(H,22,23).
What are the key properties of 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide?
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 378.18 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1297495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).