6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H19F3N2O3 — CID 129057628

IUPAC6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)N(CC1CCc2cc(C(=O)NO)ccc2C1)CC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-10(22)21(9-16(17,18)19)8-11-2-3-13-7-14(15(23)20-24)5-4-12(13)6-11/h4-5,7,11,24H,2-3,6,8-9H2,1H3,(H,20,23)
InChIKeyOTUBEXJAGVEUJW-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.32
Rot. Bonds4

About 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 129057628) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID129057628
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)N(CC1CCc2cc(C(=O)NO)ccc2C1)CC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-10(22)21(9-16(17,18)19)8-11-2-3-13-7-14(15(23)20-24)5-4-12(13)6-11/h4-5,7,11,24H,2-3,6,8-9H2,1H3,(H,20,23)
InChIKeyOTUBEXJAGVEUJW-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 129057628) is 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(=O)N(CC1CCc2cc(C(=O)NO)ccc2C1)CC(F)(F)F.
What is the InChIKey of 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OTUBEXJAGVEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(22)21(9-16(17,18)19)8-11-2-3-13-7-14(15(23)20-24)5-4-12(13)6-11/h4-5,7,11,24H,2-3,6,8-9H2,1H3,(H,20,23).
What are the key properties of 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[acetyl(2,2,2-trifluoroethyl)amino]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 129057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).