1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea

C11H14Cl2N2O2 — CID 154198928

IUPAC1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-14(2)11(17)15(5-6-16)8-3-4-9(12)10(13)7-8/h3-4,7,16H,5-6H2,1-2H3
InChIKeyLUPLJYFSXOMVHN-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.47
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea

1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea (PubChem CID 154198928) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
PubChem CID154198928
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-14(2)11(17)15(5-6-16)8-3-4-9(12)10(13)7-8/h3-4,7,16H,5-6H2,1-2H3
InChIKeyLUPLJYFSXOMVHN-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
CID 18432
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
CID 14796735
2-chloro-4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 505288
N-(3,4-dichlorophenyl)-N-(2,2,2-trichloroethyl)carbamate
CID 57354545
(3,4-dichlorophenyl)-propylcarbamodithioic acid
CID 172922141

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea (CID 154198928) is 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea is CN(C)C(=O)N(CCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The InChIKey is LUPLJYFSXOMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-14(2)11(17)15(5-6-16)8-3-4-9(12)10(13)7-8/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea has a molecular weight of 277.15 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea is sourced from PubChem (CID 154198928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).