4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H11ClF2N2O2 — CID 114930346

IUPAC4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-8-4-5-9(14(18)19-20)13(6-8)21-7-10-11(16)2-1-3-12(10)17/h1-6,20H,7H2,(H2,18,19)
InChIKeyDQVKNFXKZDRKPI-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.29
Rot. Bonds4

About 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 114930346) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID114930346
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-8-4-5-9(14(18)19-20)13(6-8)21-7-10-11(16)2-1-3-12(10)17/h1-6,20H,7H2,(H2,18,19)
InChIKeyDQVKNFXKZDRKPI-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.29
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
CID 106705042
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 114930346) is 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1OCc1c(F)cccc1F.
What is the InChIKey of 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DQVKNFXKZDRKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-8-4-5-9(14(18)19-20)13(6-8)21-7-10-11(16)2-1-3-12(10)17/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 312.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114930346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).