2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide

C18H18ClIN2O3 — CID 154039597

IUPAC2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
SMILESCOc1ccc(CCNC(=O)C(=NI)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H18ClIN2O3/c1-24-15-8-3-12(11-16(15)25-2)9-10-21-18(23)17(22-20)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyGAXXNWXVOCQCHS-UHFFFAOYSA-N
MW472.71 g/mol
LogP3.86
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide (PubChem CID 154039597) has the molecular formula C18H18ClIN2O3 and a molecular weight of 472.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
PubChem CID154039597
Molecular FormulaC18H18ClIN2O3
Molecular Weight472.71 g/mol
Exact Mass472.01
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
SMILESCOc1ccc(CCNC(=O)C(=NI)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H18ClIN2O3/c1-24-15-8-3-12(11-16(15)25-2)9-10-21-18(23)17(22-20)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyGAXXNWXVOCQCHS-UHFFFAOYSA-N
XLogP3.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 134292015
2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10864039
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone
CID 110823596
3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
CID 59105437
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)phenyl]-2-methylsulfanyliminoacetamide
CID 18405788
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyiminopropanamide
CID 71964880
2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide (CID 154039597) is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide is COc1ccc(CCNC(=O)C(=NI)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The InChIKey is GAXXNWXVOCQCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClIN2O3/c1-24-15-8-3-12(11-16(15)25-2)9-10-21-18(23)17(22-20)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide has a molecular weight of 472.71 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide is sourced from PubChem (CID 154039597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).