2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide

C16H16IN3O2 — CID 1243754

IUPAC2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3O2/c1-22-15-8-2-12(3-9-15)10-19-20-16(21)11-18-14-6-4-13(17)5-7-14/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyMQNYMGGHQOYFEL-UHFFFAOYSA-N
MW409.23 g/mol
LogP2.86
Rot. Bonds6

About 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide

2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 1243754) has the molecular formula C16H16IN3O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID1243754
Molecular FormulaC16H16IN3O2
Molecular Weight409.23 g/mol
Exact Mass409.03
IUPAC Name2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3O2/c1-22-15-8-2-12(3-9-15)10-19-20-16(21)11-18-14-6-4-13(17)5-7-14/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyMQNYMGGHQOYFEL-UHFFFAOYSA-N
XLogP2.86
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 4561831

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide (CID 1243754) is 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)CNc2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is MQNYMGGHQOYFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O2/c1-22-15-8-2-12(3-9-15)10-19-20-16(21)11-18-14-6-4-13(17)5-7-14/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 409.23 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1243754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).