3-(4-iodophenyl)-1-methyl-1-pentylurea

C13H19IN2O — CID 3866237

IUPAC3-(4-iodophenyl)-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H19IN2O/c1-3-4-5-10-16(2)13(17)15-12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyNAPJYZIXVIOVRB-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.95
Rot. Bonds5

About 3-(4-iodophenyl)-1-methyl-1-pentylurea

3-(4-iodophenyl)-1-methyl-1-pentylurea (PubChem CID 3866237) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-methyl-1-pentylurea.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-methyl-1-pentylurea
PubChem CID3866237
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name3-(4-iodophenyl)-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H19IN2O/c1-3-4-5-10-16(2)13(17)15-12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyNAPJYZIXVIOVRB-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenyl)-1-methyl-1-pentylurea 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

3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324452
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-methyl-1-pentylurea?
The IUPAC name of 3-(4-iodophenyl)-1-methyl-1-pentylurea (CID 3866237) is 3-(4-iodophenyl)-1-methyl-1-pentylurea.
What is the SMILES notation for 3-(4-iodophenyl)-1-methyl-1-pentylurea?
The canonical SMILES for 3-(4-iodophenyl)-1-methyl-1-pentylurea is CCCCCN(C)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-1-methyl-1-pentylurea?
The InChIKey is NAPJYZIXVIOVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-3-4-5-10-16(2)13(17)15-12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-iodophenyl)-1-methyl-1-pentylurea?
3-(4-iodophenyl)-1-methyl-1-pentylurea has a molecular weight of 346.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-methyl-1-pentylurea is sourced from PubChem (CID 3866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).