3-(2,4-dichlorophenyl)-1,1-dipropylurea

C13H18Cl2N2O — CID 3499106

IUPAC3-(2,4-dichlorophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-7-17(8-4-2)13(18)16-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyYLIDAIFEEPNIMC-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.65
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-1,1-dipropylurea

3-(2,4-dichlorophenyl)-1,1-dipropylurea (PubChem CID 3499106) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,1-dipropylurea
PubChem CID3499106
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-(2,4-dichlorophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-7-17(8-4-2)13(18)16-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyYLIDAIFEEPNIMC-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
CID 51062904
2-[[(2,4-dichlorophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 5192628
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
CID 118985035
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,1-dipropylurea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,1-dipropylurea (CID 3499106) is 3-(2,4-dichlorophenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,1-dipropylurea?
The InChIKey is YLIDAIFEEPNIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-7-17(8-4-2)13(18)16-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,4-dichlorophenyl)-1,1-dipropylurea?
3-(2,4-dichlorophenyl)-1,1-dipropylurea has a molecular weight of 289.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,1-dipropylurea is sourced from PubChem (CID 3499106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).