3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea

C13H18Cl2N2O2 — CID 20788075

IUPAC3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
SMILESCCCN(CC(C)O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-3-6-17(8-9(2)18)13(19)16-10-4-5-11(14)12(15)7-10/h4-5,7,9,18H,3,6,8H2,1-2H3,(H,16,19)
InChIKeySSXDUPPVZCWVKC-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.62
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea

3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea (PubChem CID 20788075) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
PubChem CID20788075
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
SMILESCCCN(CC(C)O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-3-6-17(8-9(2)18)13(19)16-10-4-5-11(14)12(15)7-10/h4-5,7,9,18H,3,6,8H2,1-2H3,(H,16,19)
InChIKeySSXDUPPVZCWVKC-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
3-(3,4-dichlorophenyl)-1-methyl-1-propylsulfanylurea
CID 21414077
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
CID 12876090
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
3-(3,4-dichlorophenyl)-1-methyl-1-(propyldisulfanyl)urea
CID 54418055
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 54991673
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea (CID 20788075) is 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea is CCCN(CC(C)O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea?
The InChIKey is SSXDUPPVZCWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-3-6-17(8-9(2)18)13(19)16-10-4-5-11(14)12(15)7-10/h4-5,7,9,18H,3,6,8H2,1-2H3,(H,16,19).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea?
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea has a molecular weight of 305.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea is sourced from PubChem (CID 20788075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).