(3-chloro-4-methylphenyl)urea

C8H9ClN2O — CID 25741

IUPAC(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(N)=O)cc1Cl
InChIInChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyGAFWRUXZGSUTHS-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.14
Rot. Bonds1

About (3-chloro-4-methylphenyl)urea

(3-chloro-4-methylphenyl)urea (PubChem CID 25741) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)urea
PubChem CID25741
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(N)=O)cc1Cl
InChIInChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyGAFWRUXZGSUTHS-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)urea?
The IUPAC name of (3-chloro-4-methylphenyl)urea (CID 25741) is (3-chloro-4-methylphenyl)urea.
What is the SMILES notation for (3-chloro-4-methylphenyl)urea?
The canonical SMILES for (3-chloro-4-methylphenyl)urea is Cc1ccc(NC(N)=O)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)urea?
The InChIKey is GAFWRUXZGSUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (3-chloro-4-methylphenyl)urea?
(3-chloro-4-methylphenyl)urea has a molecular weight of 184.63 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 25741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).