2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide

C17H20IN3O4 — CID 24994556

IUPAC2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(C(N)=O)c(NCCO)c2)cc(I)c1OC
InChIInChI=1S/C17H20IN3O4/c1-24-15-9-11(7-13(18)16(15)25-2)21-10-3-4-12(17(19)23)14(8-10)20-5-6-22/h3-4,7-9,20-22H,5-6H2,1-2H3,(H2,19,23)
InChIKeyCMOMYIVTKSMHAD-UHFFFAOYSA-N
MW457.27 g/mol
LogP2.56
Rot. Bonds8

About 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide

2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide (PubChem CID 24994556) has the molecular formula C17H20IN3O4 and a molecular weight of 457.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide
PubChem CID24994556
Molecular FormulaC17H20IN3O4
Molecular Weight457.27 g/mol
Exact Mass457.05
IUPAC Name2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(C(N)=O)c(NCCO)c2)cc(I)c1OC
InChIInChI=1S/C17H20IN3O4/c1-24-15-9-11(7-13(18)16(15)25-2)21-10-3-4-12(17(19)23)14(8-10)20-5-6-22/h3-4,7-9,20-22H,5-6H2,1-2H3,(H2,19,23)
InChIKeyCMOMYIVTKSMHAD-UHFFFAOYSA-N
XLogP2.56
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylamino)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 24991989
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
benzonitrile;3-(3,4-dimethoxy-5-methylanilino)-2-(2-hydroxyethylamino)benzamide
CID 69163416
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
4,5-dimethoxy-2-(2-phenylethylamino)benzamide
CID 141146407
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide?
The IUPAC name of 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide (CID 24994556) is 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide is COc1cc(Nc2ccc(C(N)=O)c(NCCO)c2)cc(I)c1OC.
What is the InChIKey of 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide?
The InChIKey is CMOMYIVTKSMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O4/c1-24-15-9-11(7-13(18)16(15)25-2)21-10-3-4-12(17(19)23)14(8-10)20-5-6-22/h3-4,7-9,20-22H,5-6H2,1-2H3,(H2,19,23).
What are the key properties of 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide?
2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide has a molecular weight of 457.27 g/mol, XLogP of 2.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzamide is sourced from PubChem (CID 24994556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).