2-(2-amino-5-fluoro-4-iodoanilino)ethylurea

C9H12FIN4O — CID 83115916

IUPAC2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
SMILESNC(=O)NCCNc1cc(F)c(I)cc1N
InChIInChI=1S/C9H12FIN4O/c10-5-3-8(7(12)4-6(5)11)14-1-2-15-9(13)16/h3-4,14H,1-2,12H2,(H3,13,15,16)
InChIKeyWYVIAVBLEBCNRH-UHFFFAOYSA-N
MW338.12 g/mol
LogP1.09
Rot. Bonds4

About 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea

2-(2-amino-5-fluoro-4-iodoanilino)ethylurea (PubChem CID 83115916) has the molecular formula C9H12FIN4O and a molecular weight of 338.12 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
PubChem CID83115916
Molecular FormulaC9H12FIN4O
Molecular Weight338.12 g/mol
Exact Mass338.00
IUPAC Name2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
SMILESNC(=O)NCCNc1cc(F)c(I)cc1N
InChIInChI=1S/C9H12FIN4O/c10-5-3-8(7(12)4-6(5)11)14-1-2-15-9(13)16/h3-4,14H,1-2,12H2,(H3,13,15,16)
InChIKeyWYVIAVBLEBCNRH-UHFFFAOYSA-N
XLogP1.09
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
CID 66100509
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068
4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426519
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
5-amino-2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]benzoic acid
CID 104932905
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
2-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethylurea
CID 83116004
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea?
The IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea (CID 83115916) is 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea?
The canonical SMILES for 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea is NC(=O)NCCNc1cc(F)c(I)cc1N.
What is the InChIKey of 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea?
The InChIKey is WYVIAVBLEBCNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN4O/c10-5-3-8(7(12)4-6(5)11)14-1-2-15-9(13)16/h3-4,14H,1-2,12H2,(H3,13,15,16).
What are the key properties of 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea?
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea has a molecular weight of 338.12 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-4-iodoanilino)ethylurea is sourced from PubChem (CID 83115916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).