3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea

C11H14Cl2N2O2 — CID 114230641

IUPAC3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
SMILESCN(CCCO)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-15(5-2-6-16)11(17)14-8-3-4-9(12)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyIHISTFMEHJSUJO-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.84
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea

3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea (PubChem CID 114230641) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
PubChem CID114230641
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
SMILESCN(CCCO)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-15(5-2-6-16)11(17)14-8-3-4-9(12)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyIHISTFMEHJSUJO-UHFFFAOYSA-N
XLogP2.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[[3-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 114230397
1-(3-bromopropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 106441536
1-butyl-3-(3,4-dichlorophenyl)-1-methylurea;N-phenylacetamide
CID 174814667
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
5-[[butyl(methyl)carbamoyl]amino]-2-chlorobenzoic acid
CID 61186407
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea (CID 114230641) is 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea is CN(CCCO)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea?
The InChIKey is IHISTFMEHJSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-15(5-2-6-16)11(17)14-8-3-4-9(12)10(13)7-8/h3-4,7,16H,2,5-6H2,1H3,(H,14,17).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea?
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea has a molecular weight of 277.15 g/mol, XLogP of 2.84, 4 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-(3-hydroxypropyl)-1-methylurea is sourced from PubChem (CID 114230641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).