diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate

C14H18Cl2N2O3 — CID 88831077

IUPACdiethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate
SMILESCCN(CC)C(=O)O/C(=N\OC)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)14(19)21-13(17-20-3)12(16)10-6-8-11(15)9-7-10/h6-9,12H,4-5H2,1-3H3/b17-13-
InChIKeyJOHWEBVPIPCUHR-LGMDPLHJSA-N
MW333.22 g/mol
LogP4.06
Rot. Bonds5

About diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate

diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate (PubChem CID 88831077) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate.

Molecular Properties

Compound Namediethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate
PubChem CID88831077
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Namediethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate
SMILESCCN(CC)C(=O)O/C(=N\OC)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)14(19)21-13(17-20-3)12(16)10-6-8-11(15)9-7-10/h6-9,12H,4-5H2,1-3H3/b17-13-
InChIKeyJOHWEBVPIPCUHR-LGMDPLHJSA-N
XLogP4.06
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate 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-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine
CID 75494662
methyl 2-[1-(4-chlorophenyl)propylideneamino]oxyacetate
CID 88788827
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844
2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
CID 115712612

Frequently Asked Questions

What is the IUPAC name of diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate?
The IUPAC name of diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate (CID 88831077) is diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate.
What is the SMILES notation for diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate?
The canonical SMILES for diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate is CCN(CC)C(=O)O/C(=N\OC)C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate?
The InChIKey is JOHWEBVPIPCUHR-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)14(19)21-13(17-20-3)12(16)10-6-8-11(15)9-7-10/h6-9,12H,4-5H2,1-3H3/b17-13-.
What are the key properties of diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate?
diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate has a molecular weight of 333.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamoyl (1Z)-2-chloro-2-(4-chlorophenyl)-N-methoxyethanimidate is sourced from PubChem (CID 88831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).