(4-chlorophenyl)methylurea

C8H9ClN2O — CID 1484508

IUPAC(4-chlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyKJZQYKWORLVIIF-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.51
Rot. Bonds2

About (4-chlorophenyl)methylurea

(4-chlorophenyl)methylurea (PubChem CID 1484508) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (4-chlorophenyl)methylurea.

Molecular Properties

Compound Name(4-chlorophenyl)methylurea
PubChem CID1484508
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(4-chlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyKJZQYKWORLVIIF-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methylurea?
The IUPAC name of (4-chlorophenyl)methylurea (CID 1484508) is (4-chlorophenyl)methylurea.
What is the SMILES notation for (4-chlorophenyl)methylurea?
The canonical SMILES for (4-chlorophenyl)methylurea is NC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methylurea?
The InChIKey is KJZQYKWORLVIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12).
What are the key properties of (4-chlorophenyl)methylurea?
(4-chlorophenyl)methylurea has a molecular weight of 184.63 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methylurea is sourced from PubChem (CID 1484508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).