(3-amino-4-chlorophenyl)urea

C7H8ClN3O — CID 16776424

IUPAC(3-amino-4-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyHEDZDBXQLRNBHC-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.41
Rot. Bonds1

About (3-amino-4-chlorophenyl)urea

(3-amino-4-chlorophenyl)urea (PubChem CID 16776424) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)urea.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)urea
PubChem CID16776424
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name(3-amino-4-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyHEDZDBXQLRNBHC-UHFFFAOYSA-N
XLogP1.41
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)urea?
The IUPAC name of (3-amino-4-chlorophenyl)urea (CID 16776424) is (3-amino-4-chlorophenyl)urea.
What is the SMILES notation for (3-amino-4-chlorophenyl)urea?
The canonical SMILES for (3-amino-4-chlorophenyl)urea is NC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of (3-amino-4-chlorophenyl)urea?
The InChIKey is HEDZDBXQLRNBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12).
What are the key properties of (3-amino-4-chlorophenyl)urea?
(3-amino-4-chlorophenyl)urea has a molecular weight of 185.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)urea is sourced from PubChem (CID 16776424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).