2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C15H14ClFN2O2 — CID 76994226

IUPAC2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1OCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C15H14ClFN2O2/c1-9-6-11(16)3-5-14(9)21-8-10-2-4-12(17)7-13(10)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyFKVILKONUDELMU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.46
Rot. Bonds4

About 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76994226) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76994226
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1OCc1ccc(F)cc1C(N)=NO
InChIInChI=1S/C15H14ClFN2O2/c1-9-6-11(16)3-5-14(9)21-8-10-2-4-12(17)7-13(10)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyFKVILKONUDELMU-UHFFFAOYSA-N
XLogP3.46
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 76994226) is 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cc(Cl)ccc1OCc1ccc(F)cc1C(N)=NO.
What is the InChIKey of 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is FKVILKONUDELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-6-11(16)3-5-14(9)21-8-10-2-4-12(17)7-13(10)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19).
What are the key properties of 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 308.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76994226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).