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

C18H13BrFNO4 — CID 86580255

IUPAC6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(Br)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C18H13BrFNO4/c19-10-3-6-12-13(7-10)15(22)17(24)16(23)14(12)18(25)21-8-9-1-4-11(20)5-2-9/h1-7,14,17,24H,8H2,(H,21,25)
InChIKeyUQPCFQPDHIYILE-UHFFFAOYSA-N
MW406.21 g/mol
LogP2.11
Rot. Bonds3

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

6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (PubChem CID 86580255) has the molecular formula C18H13BrFNO4 and a molecular weight of 406.21 g/mol. Its IUPAC name is 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
PubChem CID86580255
Molecular FormulaC18H13BrFNO4
Molecular Weight406.21 g/mol
Exact Mass405.00
IUPAC Name6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(Br)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C18H13BrFNO4/c19-10-3-6-12-13(7-10)15(22)17(24)16(23)14(12)18(25)21-8-9-1-4-11(20)5-2-9/h1-7,14,17,24H,8H2,(H,21,25)
InChIKeyUQPCFQPDHIYILE-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580227
7-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580228
5-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580229
N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)tetralin-1-carboxamide
CID 86580256
N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
CID 67280870
N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
CID 77258966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The IUPAC name of 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (CID 86580255) is 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is O=C1c2cc(Br)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O.
What is the InChIKey of 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The InChIKey is UQPCFQPDHIYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO4/c19-10-3-6-12-13(7-10)15(22)17(24)16(23)14(12)18(25)21-8-9-1-4-11(20)5-2-9/h1-7,14,17,24H,8H2,(H,21,25).
What are the key properties of 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide has a molecular weight of 406.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 86580255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).