3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea

C13H13Cl2N3O3 — CID 155658477

IUPAC3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea
SMILESNC(=O)Nc1cc(O)ccc1Cl.Nc1cc(O)ccc1Cl
InChIInChI=1S/C7H7ClN2O2.C6H6ClNO/c8-5-2-1-4(11)3-6(5)10-7(9)12;7-5-2-1-4(9)3-6(5)8/h1-3,11H,(H3,9,10,12);1-3,9H,8H2
InChIKeyAUAYNIZMZCHEDH-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.16
Rot. Bonds1

About 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea

3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea (PubChem CID 155658477) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea.

Molecular Properties

Compound Name3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea
PubChem CID155658477
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea
SMILESNC(=O)Nc1cc(O)ccc1Cl.Nc1cc(O)ccc1Cl
InChIInChI=1S/C7H7ClN2O2.C6H6ClNO/c8-5-2-1-4(11)3-6(5)10-7(9)12;7-5-2-1-4(9)3-6(5)8/h1-3,11H,(H3,9,10,12);1-3,9H,8H2
InChIKeyAUAYNIZMZCHEDH-UHFFFAOYSA-N
XLogP3.16
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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-chlorophenol;(2-chloro-5-hydroxyphenyl)urea?
The IUPAC name of 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea (CID 155658477) is 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea.
What is the SMILES notation for 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea?
The canonical SMILES for 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea is NC(=O)Nc1cc(O)ccc1Cl.Nc1cc(O)ccc1Cl.
What is the InChIKey of 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea?
The InChIKey is AUAYNIZMZCHEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2.C6H6ClNO/c8-5-2-1-4(11)3-6(5)10-7(9)12;7-5-2-1-4(9)3-6(5)8/h1-3,11H,(H3,9,10,12);1-3,9H,8H2.
What are the key properties of 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea?
3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea has a molecular weight of 330.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea is sourced from PubChem (CID 155658477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).