6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide

C18H15FN2O4 — CID 86580226

IUPAC6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESNc1ccc2c(c1)C(=O)C(O)C(=O)C2C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8,20H2,(H,21,25)
InChIKeyHEYKVBBRZPBDAD-UHFFFAOYSA-N
MW342.33 g/mol
LogP0.93
Rot. Bonds3

About 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide

6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (PubChem CID 86580226) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
PubChem CID86580226
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESNc1ccc2c(c1)C(=O)C(O)C(=O)C2C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8,20H2,(H,21,25)
InChIKeyHEYKVBBRZPBDAD-UHFFFAOYSA-N
XLogP0.93
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477979
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 127263481
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide
CID 163300286
N-[(4-fluorophenyl)methyl]-4-oxo-6,7,8,8a-tetrahydro-3H-quinoline-3-carboxamide
CID 57158880

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The IUPAC name of 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (CID 86580226) is 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The canonical SMILES for 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is Nc1ccc2c(c1)C(=O)C(O)C(=O)C2C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The InChIKey is HEYKVBBRZPBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8,20H2,(H,21,25).
What are the key properties of 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 86580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).