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

C16H15F3N2O2 — CID 140578827

IUPAC2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-13(16(17,18)19)9-11-8-7-10-5-3-4-6-12(10)14(11)15(20)22/h3-8H,2,9H2,1H3,(H2,20,22)
InChIKeySBUMSADRNQGHLA-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.44
Rot. Bonds5

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

2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (PubChem CID 140578827) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
PubChem CID140578827
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-13(16(17,18)19)9-11-8-7-10-5-3-4-6-12(10)14(11)15(20)22/h3-8H,2,9H2,1H3,(H2,20,22)
InChIKeySBUMSADRNQGHLA-UHFFFAOYSA-N
XLogP3.44
TPSA64.68 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 ≤ 53.44
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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Related Compounds

2,6-Naphthalenedicarboxamide
CID 446027
2-Naphthohydroxamic acid, O-methyl-
CID 149578
N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide
CID 33099843
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
CID 15711006
N-methoxynaphthalene-1-carboxamide
CID 13836228
6,7-Difluoro-3-methylnaphthalene-2-carboxamide
CID 20595123
6-Fluoro-3-methylnaphthalene-2-carboxamide
CID 20595177
7-Fluoro-3-methylnaphthalene-2-carboxamide
CID 20595200
2-(Trifluoromethyl)naphthalene-1-carboxamide
CID 23056913
3-[4-Formyl-3-(trifluoromethyl)phenyl]-2-methylbenzamide
CID 58276216
6-fluoro-N-hydroxynaphthalene-2-carboxamide
CID 59191043
1-[3-(Trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648981

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (CID 140578827) is 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is CCON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The InChIKey is SBUMSADRNQGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-21-13(16(17,18)19)9-11-8-7-10-5-3-4-6-12(10)14(11)15(20)22/h3-8H,2,9H2,1H3,(H2,20,22).
What are the key properties of 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 140578827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).