3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H11ClF3NO — CID 67657536

IUPAC3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyAHHOYUNNQIYLOI-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 67657536) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID67657536
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyAHHOYUNNQIYLOI-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 67657536) is 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)c1cccc(Cl)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is AHHOYUNNQIYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21).
What are the key properties of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 313.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 67657536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).