N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane

C19H24BrF2NO5 — CID 178101212

IUPACN-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane
SMILESCC(C)(O)C(=O)Nc1cc(Br)c2c(OC(O)(O)F)c(F)ccc2c1.CC(C)C
InChIInChI=1S/C15H14BrF2NO5.C4H10/c1-14(2,21)13(20)19-8-5-7-3-4-10(17)12(24-15(18,22)23)11(7)9(16)6-8;1-4(2)3/h3-6,21-23H,1-2H3,(H,19,20);4H,1-3H3
InChIKeyDHANTXMEWMEXFL-UHFFFAOYSA-N
MW464.30 g/mol
LogP4.06
Rot. Bonds4

About N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane

N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane (PubChem CID 178101212) has the molecular formula C19H24BrF2NO5 and a molecular weight of 464.30 g/mol. Its IUPAC name is N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane.

Molecular Properties

Compound NameN-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane
PubChem CID178101212
Molecular FormulaC19H24BrF2NO5
Molecular Weight464.30 g/mol
Exact Mass463.08
IUPAC NameN-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane
SMILESCC(C)(O)C(=O)Nc1cc(Br)c2c(OC(O)(O)F)c(F)ccc2c1.CC(C)C
InChIInChI=1S/C15H14BrF2NO5.C4H10/c1-14(2,21)13(20)19-8-5-7-3-4-10(17)12(24-15(18,22)23)11(7)9(16)6-8;1-4(2)3/h3-6,21-23H,1-2H3,(H,19,20);4H,1-3H3
InChIKeyDHANTXMEWMEXFL-UHFFFAOYSA-N
XLogP4.06
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane?
The IUPAC name of N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane (CID 178101212) is N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane.
What is the SMILES notation for N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane?
The canonical SMILES for N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane is CC(C)(O)C(=O)Nc1cc(Br)c2c(OC(O)(O)F)c(F)ccc2c1.CC(C)C.
What is the InChIKey of N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane?
The InChIKey is DHANTXMEWMEXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO5.C4H10/c1-14(2,21)13(20)19-8-5-7-3-4-10(17)12(24-15(18,22)23)11(7)9(16)6-8;1-4(2)3/h3-6,21-23H,1-2H3,(H,19,20);4H,1-3H3.
What are the key properties of N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane?
N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane has a molecular weight of 464.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane is sourced from PubChem (CID 178101212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).