4-iodo-2-(methylamino)-N-propylbenzamide

C11H15IN2O — CID 54521444

IUPAC4-iodo-2-(methylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(I)cc1NC
InChIInChI=1S/C11H15IN2O/c1-3-6-14-11(15)9-5-4-8(12)7-10(9)13-2/h4-5,7,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyYQCQMVHNMFCLDG-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.47
Rot. Bonds4

About 4-iodo-2-(methylamino)-N-propylbenzamide

4-iodo-2-(methylamino)-N-propylbenzamide (PubChem CID 54521444) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-iodo-2-(methylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-iodo-2-(methylamino)-N-propylbenzamide
PubChem CID54521444
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name4-iodo-2-(methylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(I)cc1NC
InChIInChI=1S/C11H15IN2O/c1-3-6-14-11(15)9-5-4-8(12)7-10(9)13-2/h4-5,7,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyYQCQMVHNMFCLDG-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-2-(methylamino)-N-propylbenzamide 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

4-iodo-2-nitro-N-propylbenzamide
CID 103517400
N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide
CID 146655569
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
2,3,5-triiodo-N-propylbenzamide
CID 54149296
2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 103604687
2-hydrazinyl-N-propylbenzamide
CID 62238054
5-iodo-2-(propylcarbamoylamino)benzoic acid
CID 63111324
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(methylamino)-N-propylbenzamide?
The IUPAC name of 4-iodo-2-(methylamino)-N-propylbenzamide (CID 54521444) is 4-iodo-2-(methylamino)-N-propylbenzamide.
What is the SMILES notation for 4-iodo-2-(methylamino)-N-propylbenzamide?
The canonical SMILES for 4-iodo-2-(methylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(I)cc1NC.
What is the InChIKey of 4-iodo-2-(methylamino)-N-propylbenzamide?
The InChIKey is YQCQMVHNMFCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-3-6-14-11(15)9-5-4-8(12)7-10(9)13-2/h4-5,7,13H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-iodo-2-(methylamino)-N-propylbenzamide?
4-iodo-2-(methylamino)-N-propylbenzamide has a molecular weight of 318.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(methylamino)-N-propylbenzamide is sourced from PubChem (CID 54521444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).