1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea

C14H12FIN2O2 — CID 79766487

IUPAC1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H12FIN2O2/c1-20-13-5-3-2-4-12(13)18-14(19)17-11-7-6-9(15)8-10(11)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyYKXYUUYEOJKAHI-UHFFFAOYSA-N
MW386.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea

1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea (PubChem CID 79766487) has the molecular formula C14H12FIN2O2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
PubChem CID79766487
Molecular FormulaC14H12FIN2O2
Molecular Weight386.16 g/mol
Exact Mass385.99
IUPAC Name1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H12FIN2O2/c1-20-13-5-3-2-4-12(13)18-14(19)17-11-7-6-9(15)8-10(11)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyYKXYUUYEOJKAHI-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea 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

2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
1-(4-fluoro-2-iodophenyl)-3-(4-methylphenyl)urea
CID 79766973
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(4-chlorophenyl)-3-(4-fluoro-2-iodophenyl)urea
CID 79766072
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea (CID 79766487) is 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is YKXYUUYEOJKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O2/c1-20-13-5-3-2-4-12(13)18-14(19)17-11-7-6-9(15)8-10(11)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea?
1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 386.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 79766487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).