3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide

C13H13ClN2O2 — CID 102668088

IUPAC3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O2/c14-12-6-9(13(15)16)3-4-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H3,15,16)
InChIKeyORFWOHLXPXFUTJ-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.93
Rot. Bonds5

About 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide

3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide (PubChem CID 102668088) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
PubChem CID102668088
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O2/c14-12-6-9(13(15)16)3-4-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H3,15,16)
InChIKeyORFWOHLXPXFUTJ-UHFFFAOYSA-N
XLogP2.93
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.93
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'}

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Related Compounds

3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
CID 102668187
3-chloro-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 102668091
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarboximidamide
CID 102668129
2-(furan-2-ylmethoxy)pyridine-4-carboximidamide
CID 24705015
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
4-[(4-bromo-2,5-dichlorophenoxy)methyl]-3-chlorobenzenecarboximidamide
CID 107658546
4-(furan-2-ylmethoxymethyl)benzenecarbothioamide
CID 24697058
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
3-bromo-4-(furan-2-ylmethoxymethyl)aniline
CID 60792139

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide (CID 102668088) is 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccco2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide?
The InChIKey is ORFWOHLXPXFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-12-6-9(13(15)16)3-4-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H3,15,16).
What are the key properties of 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide?
3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide has a molecular weight of 264.71 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 102668088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).