1-(3-chlorophenyl)-3-methylurea

C8H9ClN2O — CID 30384

IUPAC1-(3-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyMIRQKFUBAFNLEI-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.09
Rot. Bonds1

About 1-(3-chlorophenyl)-3-methylurea

1-(3-chlorophenyl)-3-methylurea (PubChem CID 30384) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methylurea
PubChem CID30384
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-(3-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyMIRQKFUBAFNLEI-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-methylurea (CID 30384) is 1-(3-chlorophenyl)-3-methylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-methylurea is CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-methylurea?
The InChIKey is MIRQKFUBAFNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 1-(3-chlorophenyl)-3-methylurea?
1-(3-chlorophenyl)-3-methylurea has a molecular weight of 184.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methylurea is sourced from PubChem (CID 30384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).