1-(3-fluoro-2-iodophenyl)-3-methylurea

C8H8FIN2O — CID 130164598

IUPAC1-(3-fluoro-2-iodophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(F)c1I
InChIInChI=1S/C8H8FIN2O/c1-11-8(13)12-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyKFUDQDIDVQBXOX-UHFFFAOYSA-N
MW294.07 g/mol
LogP2.18
Rot. Bonds1

About 1-(3-fluoro-2-iodophenyl)-3-methylurea

1-(3-fluoro-2-iodophenyl)-3-methylurea (PubChem CID 130164598) has the molecular formula C8H8FIN2O and a molecular weight of 294.07 g/mol. Its IUPAC name is 1-(3-fluoro-2-iodophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-fluoro-2-iodophenyl)-3-methylurea
PubChem CID130164598
Molecular FormulaC8H8FIN2O
Molecular Weight294.07 g/mol
Exact Mass293.97
IUPAC Name1-(3-fluoro-2-iodophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(F)c1I
InChIInChI=1S/C8H8FIN2O/c1-11-8(13)12-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyKFUDQDIDVQBXOX-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
N-(3-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 113340885
(3-fluoro-2-iodophenyl)thiourea
CID 130498613
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885
N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
CID 114259736
2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide
CID 113340918
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
N-(3-fluoro-2-iodophenyl)-2-methoxypyridine-3-carboxamide
CID 113340929
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
N-(3-fluoro-2-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113340932
2-[(3-fluoro-2-iodoanilino)methyl]prop-2-enoic acid
CID 130499303

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-iodophenyl)-3-methylurea?
The IUPAC name of 1-(3-fluoro-2-iodophenyl)-3-methylurea (CID 130164598) is 1-(3-fluoro-2-iodophenyl)-3-methylurea.
What is the SMILES notation for 1-(3-fluoro-2-iodophenyl)-3-methylurea?
The canonical SMILES for 1-(3-fluoro-2-iodophenyl)-3-methylurea is CNC(=O)Nc1cccc(F)c1I.
What is the InChIKey of 1-(3-fluoro-2-iodophenyl)-3-methylurea?
The InChIKey is KFUDQDIDVQBXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O/c1-11-8(13)12-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(3-fluoro-2-iodophenyl)-3-methylurea?
1-(3-fluoro-2-iodophenyl)-3-methylurea has a molecular weight of 294.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-iodophenyl)-3-methylurea is sourced from PubChem (CID 130164598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).