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

C19H13F4NO4 — CID 86580256

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(C(F)(F)F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C19H13F4NO4/c20-11-4-1-9(2-5-11)8-24-18(28)14-12-6-3-10(19(21,22)23)7-13(12)15(25)17(27)16(14)26/h1-7,14,17,27H,8H2,(H,24,28)
InChIKeyQKBAMAGMRDPZGE-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.37
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide (PubChem CID 86580256) has the molecular formula C19H13F4NO4 and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide
PubChem CID86580256
Molecular FormulaC19H13F4NO4
Molecular Weight395.31 g/mol
Exact Mass395.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(C(F)(F)F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C19H13F4NO4/c20-11-4-1-9(2-5-11)8-24-18(28)14-12-6-3-10(19(21,22)23)7-13(12)15(25)17(27)16(14)26/h1-7,14,17,27H,8H2,(H,24,28)
InChIKeyQKBAMAGMRDPZGE-UHFFFAOYSA-N
XLogP2.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580226
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
6-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580254
6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580255
3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58055264
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide
CID 58531415
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[6-[(2S)-1-hydroxypropan-2-yl]-5-oxo-6H-naphthalen-1-yl]methyl]acetamide
CID 154514312
N-(6-hydroxyhexyl)-9,10-dioxoanthracene-2-carboxamide
CID 18624450
N-[(3-hydroxycyclohexyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103691115

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide (CID 86580256) is N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide is O=C1c2cc(C(F)(F)F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide?
The InChIKey is QKBAMAGMRDPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO4/c20-11-4-1-9(2-5-11)8-24-18(28)14-12-6-3-10(19(21,22)23)7-13(12)15(25)17(27)16(14)26/h1-7,14,17,27H,8H2,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 86580256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).