2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C17H18IN3O2 — CID 146630660

IUPAC2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(I)c3cc(C)ccc32)C1
InChIInChI=1S/C17H18IN3O2/c1-3-17(23)21-7-12(8-21)19-16(22)10-20-9-14(18)13-6-11(2)4-5-15(13)20/h3-6,9,12H,1,7-8,10H2,2H3,(H,19,22)
InChIKeyVJJZWDJUJWOQNW-UHFFFAOYSA-N
MW423.25 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146630660) has the molecular formula C17H18IN3O2 and a molecular weight of 423.25 g/mol. Its IUPAC name is 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146630660
Molecular FormulaC17H18IN3O2
Molecular Weight423.25 g/mol
Exact Mass423.04
IUPAC Name2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(I)c3cc(C)ccc32)C1
InChIInChI=1S/C17H18IN3O2/c1-3-17(23)21-7-12(8-21)19-16(22)10-20-9-14(18)13-6-11(2)4-5-15(13)20/h3-6,9,12H,1,7-8,10H2,2H3,(H,19,22)
InChIKeyVJJZWDJUJWOQNW-UHFFFAOYSA-N
XLogP2.07
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide 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

2-[3-methyl-5-(trifluoromethyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630932
2-[6-(2-chlorophenyl)-3-iodoindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630468
2-(5-bromo-3-chloroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630713
N-benzyl-2-[5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indol-3-yl]acetamide
CID 146630748
2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146631220
1-(3-iodo-5-nitroindol-1-yl)-3-(1-prop-2-enoylazetidin-3-yl)propan-2-one
CID 159808980
2-(5-bromo-7-ethyl-3-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630490
2-(6-chloroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630662
2-[5-bromo-3-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146631202
5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-N-[2-(1,3-thiazol-2-yl)ethyl]indole-3-carboxamide
CID 146630838
5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-N-[2-(3H-pyrrol-5-yl)ethyl]indole-3-carboxamide
CID 160779326
2-[5-bromo-7-methyl-3-(2-propan-2-ylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630501

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146630660) is 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2cc(I)c3cc(C)ccc32)C1.
What is the InChIKey of 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is VJJZWDJUJWOQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3O2/c1-3-17(23)21-7-12(8-21)19-16(22)10-20-9-14(18)13-6-11(2)4-5-15(13)20/h3-6,9,12H,1,7-8,10H2,2H3,(H,19,22).
What are the key properties of 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 423.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-5-methylindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146630660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).