2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide

C12H14Cl2N2O — CID 169368937

IUPAC2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-6-12(15)16-9-3-4-11(10(14)5-9)17-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,15,16)
InChIKeyUAKUFOQJPGKQNK-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide

2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide (PubChem CID 169368937) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
PubChem CID169368937
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-6-12(15)16-9-3-4-11(10(14)5-9)17-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,15,16)
InChIKeyUAKUFOQJPGKQNK-UHFFFAOYSA-N
XLogP3.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-1-(cyclopropylmethoxy)-4-isocyanatobenzene
CID 169355278
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
CID 169368709
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
2-chloro-N'-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]ethanimidamide
CID 169367930
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
CID 169367630
2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
CID 169366596
2-chloro-N-[3-chloro-4-(cyclopentylmethoxy)phenyl]acetamide
CID 146657640
2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide
CID 169369130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide (CID 169368937) is 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OCC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide?
The InChIKey is UAKUFOQJPGKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-6-12(15)16-9-3-4-11(10(14)5-9)17-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,15,16).
What are the key properties of 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide?
2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide has a molecular weight of 273.16 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).