N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide

C19H11F6NO2 — CID 11741624

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H11F6NO2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(28)15-6-5-10-3-1-2-4-14(10)16(15)27/h1-9,27H,(H,26,28)
InChIKeyGTIRCXWYMTWWRW-UHFFFAOYSA-N
MW399.29 g/mol
LogP5.84
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 11741624) has the molecular formula C19H11F6NO2 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID11741624
Molecular FormulaC19H11F6NO2
Molecular Weight399.29 g/mol
Exact Mass399.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H11F6NO2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(28)15-6-5-10-3-1-2-4-14(10)16(15)27/h1-9,27H,(H,26,28)
InChIKeyGTIRCXWYMTWWRW-UHFFFAOYSA-N
XLogP5.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.84
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]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide (CID 11741624) is N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is GTIRCXWYMTWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(28)15-6-5-10-3-1-2-4-14(10)16(15)27/h1-9,27H,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 5.84, 2 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]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 11741624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).