2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide

C19H22IN3O2 — CID 25472463

IUPAC2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
SMILESCN(CCCNC(=O)CNC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C19H22IN3O2/c1-23(15-8-3-2-4-9-15)13-7-12-21-18(24)14-22-19(25)16-10-5-6-11-17(16)20/h2-6,8-11H,7,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOESAPLIPIVBPRC-UHFFFAOYSA-N
MW451.31 g/mol
LogP2.66
Rot. Bonds8

About 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide

2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide (PubChem CID 25472463) has the molecular formula C19H22IN3O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
PubChem CID25472463
Molecular FormulaC19H22IN3O2
Molecular Weight451.31 g/mol
Exact Mass451.08
IUPAC Name2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
SMILESCN(CCCNC(=O)CNC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C19H22IN3O2/c1-23(15-8-3-2-4-9-15)13-7-12-21-18(24)14-22-19(25)16-10-5-6-11-17(16)20/h2-6,8-11H,7,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOESAPLIPIVBPRC-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide (CID 25472463) is 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide is CN(CCCNC(=O)CNC(=O)c1ccccc1I)c1ccccc1.
What is the InChIKey of 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide?
The InChIKey is OESAPLIPIVBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O2/c1-23(15-8-3-2-4-9-15)13-7-12-21-18(24)14-22-19(25)16-10-5-6-11-17(16)20/h2-6,8-11H,7,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide?
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide has a molecular weight of 451.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).