N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide

C23H14F2N2O3 — CID 137318007

IUPACN,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
SMILESO=C1C(=O)c2ccccc2C(O)=C1/C(=N/c1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H14F2N2O3/c24-13-5-9-15(10-6-13)26-23(27-16-11-7-14(25)8-12-16)19-20(28)17-3-1-2-4-18(17)21(29)22(19)30/h1-12,28H,(H,26,27)
InChIKeyYIGRMEITVRFXHO-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.84
Rot. Bonds3

About N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide

N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide (PubChem CID 137318007) has the molecular formula C23H14F2N2O3 and a molecular weight of 404.37 g/mol. Its IUPAC name is N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
PubChem CID137318007
Molecular FormulaC23H14F2N2O3
Molecular Weight404.37 g/mol
Exact Mass404.10
IUPAC NameN,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
SMILESO=C1C(=O)c2ccccc2C(O)=C1/C(=N/c1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H14F2N2O3/c24-13-5-9-15(10-6-13)26-23(27-16-11-7-14(25)8-12-16)19-20(28)17-3-1-2-4-18(17)21(29)22(19)30/h1-12,28H,(H,26,27)
InChIKeyYIGRMEITVRFXHO-UHFFFAOYSA-N
XLogP4.84
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 135408455
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N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
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[2-(4-fluoroanilino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
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1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135470599
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
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(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
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3-hydroxy-2-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]inden-1-one
CID 135411342
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide?
The IUPAC name of N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide (CID 137318007) is N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide.
What is the SMILES notation for N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide?
The canonical SMILES for N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide is O=C1C(=O)c2ccccc2C(O)=C1/C(=N/c1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide?
The InChIKey is YIGRMEITVRFXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O3/c24-13-5-9-15(10-6-13)26-23(27-16-11-7-14(25)8-12-16)19-20(28)17-3-1-2-4-18(17)21(29)22(19)30/h1-12,28H,(H,26,27).
What are the key properties of N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide?
N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide has a molecular weight of 404.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide is sourced from PubChem (CID 137318007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).