N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide

C21H12BrF6NO2 — CID 155532556

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)c(-c2ccccc2)cc1O
InChIInChI=1S/C21H12BrF6NO2/c22-17-9-16(18(30)10-15(17)11-4-2-1-3-5-11)19(31)29-14-7-12(20(23,24)25)6-13(8-14)21(26,27)28/h1-10,30H,(H,29,31)
InChIKeyBFCVQTRSESZUHH-UHFFFAOYSA-N
MW504.22 g/mol
LogP7.11
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide (PubChem CID 155532556) has the molecular formula C21H12BrF6NO2 and a molecular weight of 504.22 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide
PubChem CID155532556
Molecular FormulaC21H12BrF6NO2
Molecular Weight504.22 g/mol
Exact Mass503.00
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)c(-c2ccccc2)cc1O
InChIInChI=1S/C21H12BrF6NO2/c22-17-9-16(18(30)10-15(17)11-4-2-1-3-5-11)19(31)29-14-7-12(20(23,24)25)6-13(8-14)21(26,27)28/h1-10,30H,(H,29,31)
InChIKeyBFCVQTRSESZUHH-UHFFFAOYSA-N
XLogP7.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide (CID 155532556) is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)c(-c2ccccc2)cc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide?
The InChIKey is BFCVQTRSESZUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrF6NO2/c22-17-9-16(18(30)10-15(17)11-4-2-1-3-5-11)19(31)29-14-7-12(20(23,24)25)6-13(8-14)21(26,27)28/h1-10,30H,(H,29,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide has a molecular weight of 504.22 g/mol, XLogP of 7.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide is sourced from PubChem (CID 155532556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).