N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide

C20H16ClFN2O2 — CID 24994860

IUPACN'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-12-16(8-11-19(18)22)23-20(24-25)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,24)
InChIKeyOUXKPBKZNGBEOH-UHFFFAOYSA-N
MW370.81 g/mol
LogP5.12
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide

N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide (PubChem CID 24994860) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide
PubChem CID24994860
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-12-16(8-11-19(18)22)23-20(24-25)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,24)
InChIKeyOUXKPBKZNGBEOH-UHFFFAOYSA-N
XLogP5.12
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.81
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607
N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
CID 3813981
4-amino-N'-(3-chloro-4-phenylmethoxyphenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 135424956
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-[(3-methoxyphenoxy)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 135581877
N-hydroxy-N'-[3-(phenoxymethyl)phenyl]-1-benzofuran-5-carboximidamide
CID 156653505
benzyl N-[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-fluorophenyl)carbonimidoyl]carbamate
CID 139520753
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-[(2-phenylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 135581924
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide (CID 24994860) is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide is ON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The InChIKey is OUXKPBKZNGBEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-18-12-16(8-11-19(18)22)23-20(24-25)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,24).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide?
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide has a molecular weight of 370.81 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-4-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 24994860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).