1-(2-aminophenyl)-3-iodourea

C7H8IN3O — CID 130470631

IUPAC1-(2-aminophenyl)-3-iodourea
SMILESNc1ccccc1NC(=O)NI
InChIInChI=1S/C7H8IN3O/c8-11-7(12)10-6-4-2-1-3-5(6)9/h1-4H,9H2,(H2,10,11,12)
InChIKeyDAHJBIXIJCUSPT-UHFFFAOYSA-N
MW277.07 g/mol
LogP1.74
Rot. Bonds1

About 1-(2-aminophenyl)-3-iodourea

1-(2-aminophenyl)-3-iodourea (PubChem CID 130470631) has the molecular formula C7H8IN3O and a molecular weight of 277.07 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-iodourea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-iodourea
PubChem CID130470631
Molecular FormulaC7H8IN3O
Molecular Weight277.07 g/mol
Exact Mass276.97
IUPAC Name1-(2-aminophenyl)-3-iodourea
SMILESNc1ccccc1NC(=O)NI
InChIInChI=1S/C7H8IN3O/c8-11-7(12)10-6-4-2-1-3-5(6)9/h1-4H,9H2,(H2,10,11,12)
InChIKeyDAHJBIXIJCUSPT-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-benzylurea
CID 86135193
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
2-N-iodobenzene-1,2-diamine;sulfane
CID 175939526
1-(2-aminophenyl)-3-nonylurea
CID 177454724
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
N-(2-aminophenyl)but-2-ynamide
CID 90330903

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-iodourea?
The IUPAC name of 1-(2-aminophenyl)-3-iodourea (CID 130470631) is 1-(2-aminophenyl)-3-iodourea.
What is the SMILES notation for 1-(2-aminophenyl)-3-iodourea?
The canonical SMILES for 1-(2-aminophenyl)-3-iodourea is Nc1ccccc1NC(=O)NI.
What is the InChIKey of 1-(2-aminophenyl)-3-iodourea?
The InChIKey is DAHJBIXIJCUSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O/c8-11-7(12)10-6-4-2-1-3-5(6)9/h1-4H,9H2,(H2,10,11,12).
What are the key properties of 1-(2-aminophenyl)-3-iodourea?
1-(2-aminophenyl)-3-iodourea has a molecular weight of 277.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-iodourea is sourced from PubChem (CID 130470631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).