4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

C15H11ClF3NO2 — CID 143211062

IUPAC4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-9-7-10(5-6-13(9)16)14(21)20-11-3-2-4-12(8-11)22-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyRRJVAIGGINZMLR-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.80
Rot. Bonds3

About 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 143211062) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID143211062
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-9-7-10(5-6-13(9)16)14(21)20-11-3-2-4-12(8-11)22-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyRRJVAIGGINZMLR-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 143211062) is 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is RRJVAIGGINZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-9-7-10(5-6-13(9)16)14(21)20-11-3-2-4-12(8-11)22-15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 143211062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).