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

C18H18BrIN2O3 — CID 134292015

IUPAC(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
SMILESCOc1ccc(CCNC(=O)/C(=N\I)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H18BrIN2O3/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)/b22-17-
InChIKeyVHMPWHKPHJHOTF-XLNRJJMWSA-N
MW517.16 g/mol
LogP3.96
Rot. Bonds7

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

(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide (PubChem CID 134292015) has the molecular formula C18H18BrIN2O3 and a molecular weight of 517.16 g/mol. Its IUPAC name is (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide.

Molecular Properties

Compound Name(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
PubChem CID134292015
Molecular FormulaC18H18BrIN2O3
Molecular Weight517.16 g/mol
Exact Mass515.95
IUPAC Name(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
SMILESCOc1ccc(CCNC(=O)/C(=N\I)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H18BrIN2O3/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)/b22-17-
InChIKeyVHMPWHKPHJHOTF-XLNRJJMWSA-N
XLogP3.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.16
LogP ≤ 53.96
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

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10864039
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
(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
2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412067
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
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
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 72605566

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The IUPAC name of (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide (CID 134292015) is (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide.
What is the SMILES notation for (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The canonical SMILES for (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide is COc1ccc(CCNC(=O)/C(=N\I)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
The InChIKey is VHMPWHKPHJHOTF-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H18BrIN2O3/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)/b22-17-.
What are the key properties of (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide?
(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide has a molecular weight of 517.16 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide is sourced from PubChem (CID 134292015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).