4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide

C19H21FN2O2 — CID 130345449

IUPAC4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESCC1(C)CCN(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc21
InChIInChI=1S/C19H21FN2O2/c1-19(2)9-10-22(17-8-7-15(20)11-16(17)19)12-13-3-5-14(6-4-13)18(23)21-24/h3-8,11,24H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyMLSIYEUXIKUUSS-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.63
Rot. Bonds3

About 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide

4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 130345449) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID130345449
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESCC1(C)CCN(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc21
InChIInChI=1S/C19H21FN2O2/c1-19(2)9-10-22(17-8-7-15(20)11-16(17)19)12-13-3-5-14(6-4-13)18(23)21-24/h3-8,11,24H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyMLSIYEUXIKUUSS-UHFFFAOYSA-N
XLogP3.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.63
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 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide (CID 130345449) is 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide is CC1(C)CCN(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cc21.
What is the InChIKey of 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is MLSIYEUXIKUUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2)9-10-22(17-8-7-15(20)11-16(17)19)12-13-3-5-14(6-4-13)18(23)21-24/h3-8,11,24H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-4,4-dimethyl-2,3-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 130345449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).