N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide

C15H8ClF6NO — CID 71597897

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H8ClF6NO/c16-11-3-1-2-8(4-11)13(24)23-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-7H,(H,23,24)
InChIKeyWGPJXTLUDLKZEK-UHFFFAOYSA-N
MW367.68 g/mol
LogP5.63
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide (PubChem CID 71597897) has the molecular formula C15H8ClF6NO and a molecular weight of 367.68 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide
PubChem CID71597897
Molecular FormulaC15H8ClF6NO
Molecular Weight367.68 g/mol
Exact Mass367.02
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H8ClF6NO/c16-11-3-1-2-8(4-11)13(24)23-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-7H,(H,23,24)
InChIKeyWGPJXTLUDLKZEK-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.68
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide (CID 71597897) is N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide?
The InChIKey is WGPJXTLUDLKZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO/c16-11-3-1-2-8(4-11)13(24)23-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-7H,(H,23,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide has a molecular weight of 367.68 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 71597897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).