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

C19H21IN2O3 — CID 100525876

IUPAC2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1I
InChIInChI=1S/C19H21IN2O3/c1-13-8-9-14(16(20)12-13)19(24)22-17-7-4-3-6-15(17)18(23)21-10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJCFXBNNXCOKMRJ-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.62
Rot. Bonds7

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

2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 100525876) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID100525876
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC Name2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1I
InChIInChI=1S/C19H21IN2O3/c1-13-8-9-14(16(20)12-13)19(24)22-17-7-4-3-6-15(17)18(23)21-10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJCFXBNNXCOKMRJ-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.62
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 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide 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-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-iodo-N-[3-(2-methoxyphenyl)propyl]-4-methylbenzamide
CID 100526608
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17148411

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide (CID 100525876) is 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide is COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1I.
What is the InChIKey of 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is JCFXBNNXCOKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-13-8-9-14(16(20)12-13)19(24)22-17-7-4-3-6-15(17)18(23)21-10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 452.29 g/mol, XLogP of 3.62, 7 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-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 100525876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).