2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide

C17H17IN2O3 — CID 55690697

IUPAC2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C17H17IN2O3/c1-11-4-3-5-14(16(11)18)17(22)20-13-8-6-12(7-9-13)19-15(21)10-23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXUEDJDGSCGLBQL-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.44
Rot. Bonds5

About 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide

2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide (PubChem CID 55690697) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
PubChem CID55690697
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Name2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C17H17IN2O3/c1-11-4-3-5-14(16(11)18)17(22)20-13-8-6-12(7-9-13)19-15(21)10-23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXUEDJDGSCGLBQL-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
2-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 131924834
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
N-(4-bromo-3-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103719026
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 131927811

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The IUPAC name of 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide (CID 55690697) is 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The canonical SMILES for 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide is COCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2I)cc1.
What is the InChIKey of 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
The InChIKey is XUEDJDGSCGLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-11-4-3-5-14(16(11)18)17(22)20-13-8-6-12(7-9-13)19-15(21)10-23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide?
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide has a molecular weight of 424.24 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 55690697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).