N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide

C21H11ClF7NO2 — CID 155567026

IUPACN-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H11ClF7NO2/c22-16-5-2-6-17(23)18(16)19(31)30-13-3-1-4-14(10-13)32-15-8-11(20(24,25)26)7-12(9-15)21(27,28)29/h1-10H,(H,30,31)
InChIKeyGZXYKAUPKLMMFC-UHFFFAOYSA-N
MW477.76 g/mol
LogP7.56
Rot. Bonds4

About N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide

N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide (PubChem CID 155567026) has the molecular formula C21H11ClF7NO2 and a molecular weight of 477.76 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide
PubChem CID155567026
Molecular FormulaC21H11ClF7NO2
Molecular Weight477.76 g/mol
Exact Mass477.04
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H11ClF7NO2/c22-16-5-2-6-17(23)18(16)19(31)30-13-3-1-4-14(10-13)32-15-8-11(20(24,25)26)7-12(9-15)21(27,28)29/h1-10H,(H,30,31)
InChIKeyGZXYKAUPKLMMFC-UHFFFAOYSA-N
XLogP7.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.76
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide (CID 155567026) is N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide is O=C(Nc1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1c(F)cccc1Cl.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is GZXYKAUPKLMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF7NO2/c22-16-5-2-6-17(23)18(16)19(31)30-13-3-1-4-14(10-13)32-15-8-11(20(24,25)26)7-12(9-15)21(27,28)29/h1-10H,(H,30,31).
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide?
N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide has a molecular weight of 477.76 g/mol, XLogP of 7.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 155567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).