1-(4-fluoro-2-methylphenyl)-3-iodourea

C8H8FIN2O — CID 135276363

IUPAC1-(4-fluoro-2-methylphenyl)-3-iodourea
SMILESCc1cc(F)ccc1NC(=O)NI
InChIInChI=1S/C8H8FIN2O/c1-5-4-6(9)2-3-7(5)11-8(13)12-10/h2-4H,1H3,(H2,11,12,13)
InChIKeyYJVYSGGSKBWYBD-UHFFFAOYSA-N
MW294.07 g/mol
LogP2.61
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)-3-iodourea

1-(4-fluoro-2-methylphenyl)-3-iodourea (PubChem CID 135276363) has the molecular formula C8H8FIN2O and a molecular weight of 294.07 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-iodourea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-iodourea
PubChem CID135276363
Molecular FormulaC8H8FIN2O
Molecular Weight294.07 g/mol
Exact Mass293.97
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-iodourea
SMILESCc1cc(F)ccc1NC(=O)NI
InChIInChI=1S/C8H8FIN2O/c1-5-4-6(9)2-3-7(5)11-8(13)12-10/h2-4H,1H3,(H2,11,12,13)
InChIKeyYJVYSGGSKBWYBD-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
1-(4-fluoro-2-methylphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 71672872
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-iodourea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-iodourea (CID 135276363) is 1-(4-fluoro-2-methylphenyl)-3-iodourea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-iodourea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-iodourea is Cc1cc(F)ccc1NC(=O)NI.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-iodourea?
The InChIKey is YJVYSGGSKBWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O/c1-5-4-6(9)2-3-7(5)11-8(13)12-10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-iodourea?
1-(4-fluoro-2-methylphenyl)-3-iodourea has a molecular weight of 294.07 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-iodourea is sourced from PubChem (CID 135276363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).