3-(3-chlorophenyl)-1,1-diethylurea

C11H15ClN2O — CID 567779

IUPAC3-(3-chlorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyFXODCODKNPOVAX-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.21
Rot. Bonds3

About 3-(3-chlorophenyl)-1,1-diethylurea

3-(3-chlorophenyl)-1,1-diethylurea (PubChem CID 567779) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,1-diethylurea
PubChem CID567779
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(3-chlorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyFXODCODKNPOVAX-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Monuron
CID 8800
Monolinuron
CID 15629
Chlortoluron
CID 27375
Fenuron
CID 7560
Monomethyldiuron
CID 19113
4-Chlorophenylurea
CID 8796
Monomethylmonuron
CID 79309
1-(3,5-Dichlorophenyl)urea
CID 4165004
N-(3-Chlorophenyl)acetamide
CID 11493
Neburon
CID 11145

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,1-diethylurea?
The IUPAC name of 3-(3-chlorophenyl)-1,1-diethylurea (CID 567779) is 3-(3-chlorophenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1,1-diethylurea?
The canonical SMILES for 3-(3-chlorophenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1,1-diethylurea?
The InChIKey is FXODCODKNPOVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-(3-chlorophenyl)-1,1-diethylurea?
3-(3-chlorophenyl)-1,1-diethylurea has a molecular weight of 226.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,1-diethylurea is sourced from PubChem (CID 567779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).