(3-chlorophenyl)urea

C7H7ClN2O — CID 16075

IUPAC(3-chlorophenyl)urea
SMILESNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyPPCUBWWPGYHEJE-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.83
Rot. Bonds1

About (3-chlorophenyl)urea

(3-chlorophenyl)urea (PubChem CID 16075) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is (3-chlorophenyl)urea.

Molecular Properties

Compound Name(3-chlorophenyl)urea
PubChem CID16075
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name(3-chlorophenyl)urea
SMILESNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyPPCUBWWPGYHEJE-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)urea?
The IUPAC name of (3-chlorophenyl)urea (CID 16075) is (3-chlorophenyl)urea.
What is the SMILES notation for (3-chlorophenyl)urea?
The canonical SMILES for (3-chlorophenyl)urea is NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)urea?
The InChIKey is PPCUBWWPGYHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (3-chlorophenyl)urea?
(3-chlorophenyl)urea has a molecular weight of 170.60 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)urea is sourced from PubChem (CID 16075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).