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

C20H13F3N2O2 — CID 155214157

IUPACN-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESN#CCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)15-5-7-16(8-6-15)27-18-3-1-2-13-12-14(4-9-17(13)18)19(26)25-11-10-24/h1-9,12H,11H2,(H,25,26)
InChIKeyBWIBNEYCDPQBGE-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.90
Rot. Bonds4

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

N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214157) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214157
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC NameN-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESN#CCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)15-5-7-16(8-6-15)27-18-3-1-2-13-12-14(4-9-17(13)18)19(26)25-11-10-24/h1-9,12H,11H2,(H,25,26)
InChIKeyBWIBNEYCDPQBGE-UHFFFAOYSA-N
XLogP4.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214157) is N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is N#CCNC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is BWIBNEYCDPQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-20(22,23)15-5-7-16(8-6-15)27-18-3-1-2-13-12-14(4-9-17(13)18)19(26)25-11-10-24/h1-9,12H,11H2,(H,25,26).
What are the key properties of N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).