N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide

C16H15F3N2O2 — CID 87170460

IUPACN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyKWFQKQIPHHDWKT-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.52
Rot. Bonds5

About N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide

N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (PubChem CID 87170460) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
PubChem CID87170460
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyKWFQKQIPHHDWKT-UHFFFAOYSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (CID 87170460) is N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is CCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The InChIKey is KWFQKQIPHHDWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 87170460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).