N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C19H11F3N2O2 — CID 155214031

IUPACN-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESN#CNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)14-5-7-15(8-6-14)26-17-3-1-2-12-10-13(4-9-16(12)17)18(25)24-11-23/h1-10H,(H,24,25)
InChIKeyJWDVWKUKVFHHES-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.86
Rot. Bonds3

About N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214031) has the molecular formula C19H11F3N2O2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214031
Molecular FormulaC19H11F3N2O2
Molecular Weight356.30 g/mol
Exact Mass356.08
IUPAC NameN-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESN#CNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)14-5-7-15(8-6-14)26-17-3-1-2-12-10-13(4-9-16(12)17)18(25)24-11-23/h1-10H,(H,24,25)
InChIKeyJWDVWKUKVFHHES-UHFFFAOYSA-N
XLogP4.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214031) is N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is N#CNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is JWDVWKUKVFHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2/c20-19(21,22)14-5-7-15(8-6-14)26-17-3-1-2-12-10-13(4-9-16(12)17)18(25)24-11-23/h1-10H,(H,24,25).
What are the key properties of N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).