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

C15H10Cl2F3NO — CID 2805791

IUPAC3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO/c16-12-6-3-10(7-13(12)17)14(22)21-8-9-1-4-11(5-2-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyXTAOGYSNUGVFHH-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.94
Rot. Bonds3

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

3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 2805791) has the molecular formula C15H10Cl2F3NO and a molecular weight of 348.15 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID2805791
Molecular FormulaC15H10Cl2F3NO
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC Name3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO/c16-12-6-3-10(7-13(12)17)14(22)21-8-9-1-4-11(5-2-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyXTAOGYSNUGVFHH-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 2805791) is 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is XTAOGYSNUGVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO/c16-12-6-3-10(7-13(12)17)14(22)21-8-9-1-4-11(5-2-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 348.15 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 2805791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).