3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide

C19H20I2N2O4 — CID 4981153

IUPAC3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C19H20I2N2O4/c1-26-16-6-4-12(10-14(16)20)18(24)22-8-3-9-23-19(25)13-5-7-17(27-2)15(21)11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYYBJMTUEJQTGLE-UHFFFAOYSA-N
MW594.19 g/mol
LogP3.46
Rot. Bonds8

About 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide

3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide (PubChem CID 4981153) has the molecular formula C19H20I2N2O4 and a molecular weight of 594.19 g/mol. Its IUPAC name is 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
PubChem CID4981153
Molecular FormulaC19H20I2N2O4
Molecular Weight594.19 g/mol
Exact Mass593.95
IUPAC Name3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C19H20I2N2O4/c1-26-16-6-4-12(10-14(16)20)18(24)22-8-3-9-23-19(25)13-5-7-17(27-2)15(21)11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYYBJMTUEJQTGLE-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3-iodo-4-methoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219122
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide?
The IUPAC name of 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide (CID 4981153) is 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide?
The canonical SMILES for 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCNC(=O)c2ccc(OC)c(I)c2)cc1I.
What is the InChIKey of 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide?
The InChIKey is YYBJMTUEJQTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20I2N2O4/c1-26-16-6-4-12(10-14(16)20)18(24)22-8-3-9-23-19(25)13-5-7-17(27-2)15(21)11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide?
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide has a molecular weight of 594.19 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide is sourced from PubChem (CID 4981153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).