N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide

C17H17IN2O4 — CID 52693589

IUPACN-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1O
InChIInChI=1S/C17H17IN2O4/c1-24-15-7-6-11(8-14(15)21)9-19-16(22)10-20-17(23)12-4-2-3-5-13(12)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyVWASNEAWUKQUGL-UHFFFAOYSA-N
MW440.24 g/mol
LogP2.05
Rot. Bonds6

About N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide

N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 52693589) has the molecular formula C17H17IN2O4 and a molecular weight of 440.24 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
PubChem CID52693589
Molecular FormulaC17H17IN2O4
Molecular Weight440.24 g/mol
Exact Mass440.02
IUPAC NameN-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1O
InChIInChI=1S/C17H17IN2O4/c1-24-15-7-6-11(8-14(15)21)9-19-16(22)10-20-17(23)12-4-2-3-5-13(12)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyVWASNEAWUKQUGL-UHFFFAOYSA-N
XLogP2.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
2-iodo-N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 5020423

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide (CID 52693589) is N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide is COc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1O.
What is the InChIKey of N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is VWASNEAWUKQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4/c1-24-15-7-6-11(8-14(15)21)9-19-16(22)10-20-17(23)12-4-2-3-5-13(12)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 440.24 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 52693589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).