3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H11ClF2N2O2 — CID 105403786

IUPAC3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-12-5-9(14(18)19-20)1-2-13(12)21-7-8-3-10(16)6-11(17)4-8/h1-6,20H,7H2,(H2,18,19)
InChIKeyXXQOVQSRUBAANV-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.29
Rot. Bonds4

About 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 105403786) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID105403786
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-12-5-9(14(18)19-20)1-2-13(12)21-7-8-3-10(16)6-11(17)4-8/h1-6,20H,7H2,(H2,18,19)
InChIKeyXXQOVQSRUBAANV-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

3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 76984328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 105403786) is 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCc2cc(F)cc(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XXQOVQSRUBAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-12-5-9(14(18)19-20)1-2-13(12)21-7-8-3-10(16)6-11(17)4-8/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(3,5-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 3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 105403786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).