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

C14H11F3N2O2 — CID 140578759

IUPAC2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=NO)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11(19-21)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6,21H,7H2,(H2,18,20)
InChIKeyLVEUTYOALNOIDL-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.87
Rot. Bonds3

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

2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide (PubChem CID 140578759) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide
PubChem CID140578759
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC(=NO)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11(19-21)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6,21H,7H2,(H2,18,20)
InChIKeyLVEUTYOALNOIDL-UHFFFAOYSA-N
XLogP2.87
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Naphthohydroxamic Acid
CID 23382
2-Naphthalenecarboxamide
CID 75245
N-hydroxy-4-(naphthalen-1-yl)benzamide
CID 17748273
Anthracene-2-carboxylic acid hydroxyamide
CID 20227315
N-Hydroxy-4-naphthalen-2-yl-benzamide
CID 44369651
N-hydroxy-2-naphthalenecarboxamide
CID 25164
Phenanthrene-2-carboxylic acid hydroxyamide
CID 20227317
Phenanthrene-3-carboxylic acid hydroxyamide
CID 44387129
9,10-Dihydro-phenanthrene-3-carboxylic acid hydroxyamide
CID 44387130
2,6-Naphthalenedicarboxamide
CID 446027
7-carbamimidoyl-N-hydroxynaphthalene-1-carboxamide
CID 45267842
2-Naphthohydroxamic acid, O-methyl-
CID 149578

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide (CID 140578759) is 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide is NC(=O)c1c(CC(=NO)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide?
The InChIKey is LVEUTYOALNOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11(19-21)7-9-6-5-8-3-1-2-4-10(8)12(9)13(18)20/h1-6,21H,7H2,(H2,18,20).
What are the key properties of 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide?
2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-hydroxyiminopropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 140578759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).