N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride

C11H13Cl2NO — CID 159303506

IUPACN-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride
SMILESCCOC/C(Cl)=N/Cc1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-15-8-11(13)14-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3/b14-11-
InChIKeyLBPUITOPNCVUDK-KAMYIIQDSA-N
MW246.14 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride

N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride (PubChem CID 159303506) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride
PubChem CID159303506
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride
SMILESCCOC/C(Cl)=N/Cc1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-15-8-11(13)14-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3/b14-11-
InChIKeyLBPUITOPNCVUDK-KAMYIIQDSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111176640
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111176690
CID 140743910
CID 140743910
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
1-(3-chlorophenyl)-2-(ethoxymethyl)prop-2-en-1-one
CID 164761370
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
2-[[N'-[(3-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111176434
1-butan-2-yl-2-[(3-chlorophenyl)methyl]-3-ethylguanidine
CID 110944638
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
2-[(3-chlorophenyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024244

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride (CID 159303506) is N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride is CCOC/C(Cl)=N/Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride?
The InChIKey is LBPUITOPNCVUDK-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-15-8-11(13)14-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3/b14-11-.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride?
N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride has a molecular weight of 246.14 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-ethoxyethanimidoyl chloride is sourced from PubChem (CID 159303506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).