2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide

C15H13F3N2O2 — CID 140578796

IUPAC2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide
SMILESCON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-22-20-12(15(16,17)18)8-10-7-6-9-4-2-3-5-11(9)13(10)14(19)21/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyKZFXTAPPEYTDEB-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.05
Rot. Bonds4

About 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide

2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide (PubChem CID 140578796) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide
PubChem CID140578796
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide
SMILESCON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-22-20-12(15(16,17)18)8-10-7-6-9-4-2-3-5-11(9)13(10)14(19)21/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyKZFXTAPPEYTDEB-UHFFFAOYSA-N
XLogP3.05
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.05
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

N-hydroxy-2-naphthalenecarboxamide
CID 25164
2,6-Naphthalenedicarboxamide
CID 446027
7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide
CID 45267842
2-Naphthohydroxamic acid, O-methyl-
CID 149578
2,3-Naphthalenedicarboxamide
CID 5102564
Hydroxylamine, O-acetyl-N-(2-naphthoyl)-
CID 149579
N-(2-Naphthoyl)-O-propionylhydroxylamine
CID 149581
N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide
CID 33099843
6-FLuoronaphthalene-2-carboxamide
CID 89239841
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
CID 15711006
4-Fluoronaphthalene-1,2-dicarboxamide
CID 91070556
5,6,7,8-Tetrafluoronaphthalene-2-carboxamide
CID 139194338

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide (CID 140578796) is 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide is CON=C(Cc1ccc2ccccc2c1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide?
The InChIKey is KZFXTAPPEYTDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-20-12(15(16,17)18)8-10-7-6-9-4-2-3-5-11(9)13(10)14(19)21/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide?
2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-methoxyiminopropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 140578796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).