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

C15H10Cl2F3NO — CID 1490177

IUPAC3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO/c16-12-5-10(6-13(17)7-12)14(22)21-8-9-2-1-3-11(4-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyUYBDXNMNFTUYIP-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.94
Rot. Bonds3

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

3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 1490177) has the molecular formula C15H10Cl2F3NO and a molecular weight of 348.15 g/mol. Its IUPAC name is 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID1490177
Molecular FormulaC15H10Cl2F3NO
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC Name3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO/c16-12-5-10(6-13(17)7-12)14(22)21-8-9-2-1-3-11(4-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyUYBDXNMNFTUYIP-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 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 1490177) is 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UYBDXNMNFTUYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO/c16-12-5-10(6-13(17)7-12)14(22)21-8-9-2-1-3-11(4-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3,5-dichloro-N-[[3-(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 3,5-dichloro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 1490177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).