1,1-dibutyl-3-(3,5-dichlorophenyl)urea

C15H22Cl2N2O — CID 5194568

IUPAC1,1-dibutyl-3-(3,5-dichlorophenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-5-7-19(8-6-4-2)15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyXYOUIZSNPKALSK-UHFFFAOYSA-N
MW317.26 g/mol
LogP5.43
Rot. Bonds7

About 1,1-dibutyl-3-(3,5-dichlorophenyl)urea

1,1-dibutyl-3-(3,5-dichlorophenyl)urea (PubChem CID 5194568) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1,1-dibutyl-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(3,5-dichlorophenyl)urea
PubChem CID5194568
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1,1-dibutyl-3-(3,5-dichlorophenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-5-7-19(8-6-4-2)15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyXYOUIZSNPKALSK-UHFFFAOYSA-N
XLogP5.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dibutyl-3-(3,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Iprodione
CID 37517
Monuron
CID 8800
Monolinuron
CID 15629
Monomethyldiuron
CID 19113
1-(3,5-Dichlorophenyl)urea
CID 4165004
Monomethylmonuron
CID 79309
Neburon
CID 11145
Buturon
CID 19587
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(3,5-dichlorophenyl)urea (CID 5194568) is 1,1-dibutyl-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(3,5-dichlorophenyl)urea is CCCCN(CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,1-dibutyl-3-(3,5-dichlorophenyl)urea?
The InChIKey is XYOUIZSNPKALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-5-7-19(8-6-4-2)15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 1,1-dibutyl-3-(3,5-dichlorophenyl)urea?
1,1-dibutyl-3-(3,5-dichlorophenyl)urea has a molecular weight of 317.26 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 5194568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).