N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

C50H31BrCl2F18N4O8 — CID 160607234

About N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 160607234) has the molecular formula C50H31BrCl2F18N4O8 and a molecular weight of 1308.59 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
• PubChem CID: 160607234
• Molecular Formula: C50H31BrCl2F18N4O8
• Molecular Weight: 1308.59 g/mol
• Exact Mass: 1306.04
• IUPAC Name: N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
• SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OC(=O)N1CCOCC1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1O
• InChI: InChI=1S/C20H15ClF6N2O4.C15H8BrF6NO2.C15H8ClF6NO2/c21-13-1-2-16(33-18(31)29-3-5-32-6-4-29)15(10-13)17(30)28-14-8-11(19(22,23)24)7-12(9-14)20(25,26)27;16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-2,7-10H,3-6H2,(H,28,30);2*1-6,24H,(H,23,25)
• InChIKey: RFAORFIPDQHSGJ-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 166.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1308.59
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?

The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 160607234) is N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?

The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OC(=O)N1CCOCC1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1O.

What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?

The InChIKey is RFAORFIPDQHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N2O4.C15H8BrF6NO2.C15H8ClF6NO2/c21-13-1-2-16(33-18(31)29-3-5-32-6-4-29)15(10-13)17(30)28-14-8-11(19(22,23)24)7-12(9-14)20(25,26)27;16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-2,7-10H,3-6H2,(H,28,30);2*1-6,24H,(H,23,25).

What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?

N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 1308.59 g/mol, XLogP of 16.24, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 160607234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).