1-amino-3-(4-chloro-2-iodophenyl)urea

C7H7ClIN3O — CID 107629399

IUPAC1-amino-3-(4-chloro-2-iodophenyl)urea
SMILESNNC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C7H7ClIN3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyIKGSPCAYOWOMMB-UHFFFAOYSA-N
MW311.51 g/mol
LogP1.94
Rot. Bonds1

About 1-amino-3-(4-chloro-2-iodophenyl)urea

1-amino-3-(4-chloro-2-iodophenyl)urea (PubChem CID 107629399) has the molecular formula C7H7ClIN3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-2-iodophenyl)urea.

Molecular Properties

Compound Name1-amino-3-(4-chloro-2-iodophenyl)urea
PubChem CID107629399
Molecular FormulaC7H7ClIN3O
Molecular Weight311.51 g/mol
Exact Mass310.93
IUPAC Name1-amino-3-(4-chloro-2-iodophenyl)urea
SMILESNNC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C7H7ClIN3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyIKGSPCAYOWOMMB-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
(2S)-2-[(4-chloro-2-iodophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107628559

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-2-iodophenyl)urea?
The IUPAC name of 1-amino-3-(4-chloro-2-iodophenyl)urea (CID 107629399) is 1-amino-3-(4-chloro-2-iodophenyl)urea.
What is the SMILES notation for 1-amino-3-(4-chloro-2-iodophenyl)urea?
The canonical SMILES for 1-amino-3-(4-chloro-2-iodophenyl)urea is NNC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 1-amino-3-(4-chloro-2-iodophenyl)urea?
The InChIKey is IKGSPCAYOWOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-(4-chloro-2-iodophenyl)urea?
1-amino-3-(4-chloro-2-iodophenyl)urea has a molecular weight of 311.51 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-2-iodophenyl)urea is sourced from PubChem (CID 107629399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).