(3-chlorophenyl)methylurea

C8H9ClN2O — CID 2732577

IUPAC(3-chlorophenyl)methylurea
SMILESNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyKOLUBYHCZCBBFM-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.51
Rot. Bonds2

About (3-chlorophenyl)methylurea

(3-chlorophenyl)methylurea (PubChem CID 2732577) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (3-chlorophenyl)methylurea.

Molecular Properties

Compound Name(3-chlorophenyl)methylurea
PubChem CID2732577
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(3-chlorophenyl)methylurea
SMILESNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyKOLUBYHCZCBBFM-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 (3-chlorophenyl)methylurea?
The IUPAC name of (3-chlorophenyl)methylurea (CID 2732577) is (3-chlorophenyl)methylurea.
What is the SMILES notation for (3-chlorophenyl)methylurea?
The canonical SMILES for (3-chlorophenyl)methylurea is NC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methylurea?
The InChIKey is KOLUBYHCZCBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12).
What are the key properties of (3-chlorophenyl)methylurea?
(3-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 (3-chlorophenyl)methylurea is sourced from PubChem (CID 2732577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).