2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide

C24H22FN3O5 — CID 57187509

IUPAC2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide
SMILESO=C(NO)C(Cc1ccc(NO)cc1)n1c(O)cc(Cc2cccc3cc(F)ccc23)c1O
InChIInChI=1S/C24H22FN3O5/c25-18-6-9-20-15(2-1-3-16(20)12-18)11-17-13-22(29)28(24(17)31)21(23(30)27-33)10-14-4-7-19(26-32)8-5-14/h1-9,12-13,21,26,29,31-33H,10-11H2,(H,27,30)
InChIKeyLMONUDBUFATJHN-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.87
Rot. Bonds7

About 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide

2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide (PubChem CID 57187509) has the molecular formula C24H22FN3O5 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide
PubChem CID57187509
Molecular FormulaC24H22FN3O5
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide
SMILESO=C(NO)C(Cc1ccc(NO)cc1)n1c(O)cc(Cc2cccc3cc(F)ccc23)c1O
InChIInChI=1S/C24H22FN3O5/c25-18-6-9-20-15(2-1-3-16(20)12-18)11-17-13-22(29)28(24(17)31)21(23(30)27-33)10-14-4-7-19(26-32)8-5-14/h1-9,12-13,21,26,29,31-33H,10-11H2,(H,27,30)
InChIKeyLMONUDBUFATJHN-UHFFFAOYSA-N
XLogP3.87
TPSA126.98 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 53.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide?
The IUPAC name of 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide (CID 57187509) is 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide.
What is the SMILES notation for 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide?
The canonical SMILES for 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide is O=C(NO)C(Cc1ccc(NO)cc1)n1c(O)cc(Cc2cccc3cc(F)ccc23)c1O.
What is the InChIKey of 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide?
The InChIKey is LMONUDBUFATJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5/c25-18-6-9-20-15(2-1-3-16(20)12-18)11-17-13-22(29)28(24(17)31)21(23(30)27-33)10-14-4-7-19(26-32)8-5-14/h1-9,12-13,21,26,29,31-33H,10-11H2,(H,27,30).
What are the key properties of 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide?
2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide has a molecular weight of 451.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-fluoronaphthalen-1-yl)methyl]-2,5-dihydroxypyrrol-1-yl]-N-hydroxy-3-[4-(hydroxyamino)phenyl]propanamide is sourced from PubChem (CID 57187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).