4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H14ClFN2O2 — CID 43097083

IUPAC4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-4-2-1-3-11(13)8-21-9-12-6-5-10(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyCQBMQIVQHXLPCM-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.29
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43097083) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43097083
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-4-2-1-3-11(13)8-21-9-12-6-5-10(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyCQBMQIVQHXLPCM-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43097083) is 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(COCc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is CQBMQIVQHXLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-4-2-1-3-11(13)8-21-9-12-6-5-10(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 308.74 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43097083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).