3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide

C18H12F3NO3 — CID 20604824

IUPAC3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)22-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,22,24)
InChIKeyRMQHTMANTFTQCV-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.70
Rot. Bonds3

About 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide

3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (PubChem CID 20604824) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
PubChem CID20604824
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)22-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,22,24)
InChIKeyRMQHTMANTFTQCV-UHFFFAOYSA-N
XLogP4.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (CID 20604824) is 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The InChIKey is RMQHTMANTFTQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c19-18(20,21)25-14-7-5-13(6-8-14)22-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,22,24).
What are the key properties of 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide has a molecular weight of 347.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 20604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).