3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide

C18H19IN2O2 — CID 6117993

IUPAC3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(OC)c(I)c1)c1ccccc1
InChIInChI=1S/C18H19IN2O2/c1-3-7-16(13-8-5-4-6-9-13)20-21-18(22)14-10-11-17(23-2)15(19)12-14/h4-6,8-12H,3,7H2,1-2H3,(H,21,22)/b20-16+
InChIKeySYEUZPUQMHFION-CAPFRKAQSA-N
MW422.27 g/mol
LogP4.23
Rot. Bonds6

About 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide

3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide (PubChem CID 6117993) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
PubChem CID6117993
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC Name3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(OC)c(I)c1)c1ccccc1
InChIInChI=1S/C18H19IN2O2/c1-3-7-16(13-8-5-4-6-9-13)20-21-18(22)14-10-11-17(23-2)15(19)12-14/h4-6,8-12H,3,7H2,1-2H3,(H,21,22)/b20-16+
InChIKeySYEUZPUQMHFION-CAPFRKAQSA-N
XLogP4.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide 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

3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
CID 932230
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
methyl 2-(benzoylhydrazinylidene)pentanoate
CID 54248555

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide (CID 6117993) is 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide is CCC/C(=N\NC(=O)c1ccc(OC)c(I)c1)c1ccccc1.
What is the InChIKey of 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide?
The InChIKey is SYEUZPUQMHFION-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-3-7-16(13-8-5-4-6-9-13)20-21-18(22)14-10-11-17(23-2)15(19)12-14/h4-6,8-12H,3,7H2,1-2H3,(H,21,22)/b20-16+.
What are the key properties of 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide?
3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide has a molecular weight of 422.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6117993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).