2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide

C13H13ClN2O2 — CID 169368088

IUPAC2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccco2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-8-13(15)16-10-3-5-11(6-4-10)18-9-12-2-1-7-17-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyZESLICQOXMIKBB-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide

2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide (PubChem CID 169368088) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide
PubChem CID169368088
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccco2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-8-13(15)16-10-3-5-11(6-4-10)18-9-12-2-1-7-17-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyZESLICQOXMIKBB-UHFFFAOYSA-N
XLogP3.09
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368214
4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 43188231
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
CID 169368032
2-chloro-N'-[4-(2,2-dimethylpropoxy)phenyl]ethanimidamide
CID 169368507
2-[(4-iodophenoxy)methyl]furan
CID 60772612
2-[4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 65362318
2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
CID 169367117
2-chloro-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimidamide
CID 169366385
N'-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-chloroethanimidamide
CID 169366049
2-(furan-3-yloxymethyl)furan
CID 54008523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide (CID 169368088) is 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OCc2ccco2)cc1.
What is the InChIKey of 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide?
The InChIKey is ZESLICQOXMIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-8-13(15)16-10-3-5-11(6-4-10)18-9-12-2-1-7-17-12/h1-7H,8-9H2,(H2,15,16).
What are the key properties of 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide?
2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide has a molecular weight of 264.71 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169368088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).