N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide

C19H21IN2O3 — CID 17311583

IUPACN-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C19H21IN2O3/c1-2-25-13-7-12-21-18(23)15-9-4-6-11-17(15)22-19(24)14-8-3-5-10-16(14)20/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOXMNWSLJZKIGK-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.70
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide

N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide (PubChem CID 17311583) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
PubChem CID17311583
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC NameN-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C19H21IN2O3/c1-2-25-13-7-12-21-18(23)15-9-4-6-11-17(15)22-19(24)14-8-3-5-10-16(14)20/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOXMNWSLJZKIGK-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.70
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'}

Analyze N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide 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

N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17311661

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide (CID 17311583) is N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide is CCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide?
The InChIKey is POXMNWSLJZKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-2-25-13-7-12-21-18(23)15-9-4-6-11-17(15)22-19(24)14-8-3-5-10-16(14)20/h3-6,8-11H,2,7,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide?
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide has a molecular weight of 452.29 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide is sourced from PubChem (CID 17311583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).