3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C16H13ClF3NO — CID 134792022

IUPAC3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF3NO/c1-21(15(22)12-5-3-7-14(17)9-12)10-11-4-2-6-13(8-11)16(18,19)20/h2-9H,10H2,1H3
InChIKeyUXTDGRDDGUHZOT-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.63
Rot. Bonds3

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

3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134792022) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134792022
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF3NO/c1-21(15(22)12-5-3-7-14(17)9-12)10-11-4-2-6-13(8-11)16(18,19)20/h2-9H,10H2,1H3
InChIKeyUXTDGRDDGUHZOT-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 134792022) is 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UXTDGRDDGUHZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-21(15(22)12-5-3-7-14(17)9-12)10-11-4-2-6-13(8-11)16(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 327.73 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134792022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).