N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide

C25H13F5N2O3 — CID 11992849

IUPACN-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(-c3ccc(F)c(F)c3)c3ccccc3c2O)c(OC(F)(F)F)c1
InChIInChI=1S/C25H13F5N2O3/c26-19-7-6-14(10-20(19)27)17-11-18(23(33)16-4-2-1-3-15(16)17)24(34)32-21-8-5-13(12-31)9-22(21)35-25(28,29)30/h1-11,33H,(H,32,34)
InChIKeyZNSZKTYKSMXSBK-UHFFFAOYSA-N
MW484.38 g/mol
LogP6.51
Rot. Bonds4

About N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide

N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 11992849) has the molecular formula C25H13F5N2O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide
PubChem CID11992849
Molecular FormulaC25H13F5N2O3
Molecular Weight484.38 g/mol
Exact Mass484.08
IUPAC NameN-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(-c3ccc(F)c(F)c3)c3ccccc3c2O)c(OC(F)(F)F)c1
InChIInChI=1S/C25H13F5N2O3/c26-19-7-6-14(10-20(19)27)17-11-18(23(33)16-4-2-1-3-15(16)17)24(34)32-21-8-5-13(12-31)9-22(21)35-25(28,29)30/h1-11,33H,(H,32,34)
InChIKeyZNSZKTYKSMXSBK-UHFFFAOYSA-N
XLogP6.51
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide (CID 11992849) is N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)c(F)c3)c3ccccc3c2O)c(OC(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is ZNSZKTYKSMXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13F5N2O3/c26-19-7-6-14(10-20(19)27)17-11-18(23(33)16-4-2-1-3-15(16)17)24(34)32-21-8-5-13(12-31)9-22(21)35-25(28,29)30/h1-11,33H,(H,32,34).
What are the key properties of N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide?
N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 11992849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).