2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide

C11H14Cl2N2O — CID 169366352

IUPAC2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
SMILESCCCOc1c(Cl)cccc1/N=C(/N)CCl
InChIInChI=1S/C11H14Cl2N2O/c1-2-6-16-11-8(13)4-3-5-9(11)15-10(14)7-12/h3-5H,2,6-7H2,1H3,(H2,14,15)
InChIKeyXDMMKRLMIRDOSA-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide

2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide (PubChem CID 169366352) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
PubChem CID169366352
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
SMILESCCCOc1c(Cl)cccc1/N=C(/N)CCl
InChIInChI=1S/C11H14Cl2N2O/c1-2-6-16-11-8(13)4-3-5-9(11)15-10(14)7-12/h3-5H,2,6-7H2,1H3,(H2,14,15)
InChIKeyXDMMKRLMIRDOSA-UHFFFAOYSA-N
XLogP3.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
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'}

Analyze 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
N'-(2-butoxyphenyl)-2-chloroethanimidamide
CID 169368773
1-chloro-3-isocyanato-2-propoxybenzene
CID 169352960
3-chloro-2-propoxyaniline
CID 14618927
2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
CID 169367967
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503
2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
CID 169367595
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide
CID 169369850
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
3-chloro-2-heptoxybenzoic acid
CID 112611877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide (CID 169366352) is 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide is CCCOc1c(Cl)cccc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide?
The InChIKey is XDMMKRLMIRDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-6-16-11-8(13)4-3-5-9(11)15-10(14)7-12/h3-5H,2,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide?
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide has a molecular weight of 261.15 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-2-propoxyphenyl)ethanimidamide is sourced from PubChem (CID 169366352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).