2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide

C24H23ClIN3O3 — CID 126390386

IUPAC2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccccc2)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClIN3O3/c1-2-31-22-13-17(14-28-29-23(30)15-27-19-9-4-3-5-10-19)12-21(26)24(22)32-16-18-8-6-7-11-20(18)25/h3-14,27H,2,15-16H2,1H3,(H,29,30)/b28-14-
InChIKeyJRKDWYHTRDYBGQ-MUXKCCDJSA-N
MW563.82 g/mol
LogP5.48
Rot. Bonds10

About 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide

2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide (PubChem CID 126390386) has the molecular formula C24H23ClIN3O3 and a molecular weight of 563.82 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
PubChem CID126390386
Molecular FormulaC24H23ClIN3O3
Molecular Weight563.82 g/mol
Exact Mass563.05
IUPAC Name2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccccc2)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClIN3O3/c1-2-31-22-13-17(14-28-29-23(30)15-27-19-9-4-3-5-10-19)12-21(26)24(22)32-16-18-8-6-7-11-20(18)25/h3-14,27H,2,15-16H2,1H3,(H,29,30)/b28-14-
InChIKeyJRKDWYHTRDYBGQ-MUXKCCDJSA-N
XLogP5.48
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.82
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126049956
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126349823
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-chloroanilino)acetamide
CID 126370489
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126363332
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165
2-(1,3-benzodioxol-5-ylamino)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 4232210
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126367601
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]acetamide
CID 126364183
2-anilino-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126386466
2-(4-bromoanilino)-N-[(Z)-(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 126368878

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide (CID 126390386) is 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide is CCOc1cc(/C=N\NC(=O)CNc2ccccc2)cc(I)c1OCc1ccccc1Cl.
What is the InChIKey of 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide?
The InChIKey is JRKDWYHTRDYBGQ-MUXKCCDJSA-N. The full InChI is InChI=1S/C24H23ClIN3O3/c1-2-31-22-13-17(14-28-29-23(30)15-27-19-9-4-3-5-10-19)12-21(26)24(22)32-16-18-8-6-7-11-20(18)25/h3-14,27H,2,15-16H2,1H3,(H,29,30)/b28-14-.
What are the key properties of 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide?
2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide has a molecular weight of 563.82 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide is sourced from PubChem (CID 126390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).