3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea

C16H25ClN2O3 — CID 111578885

IUPAC3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N(CCO)CCCO
InChIInChI=1S/C16H25ClN2O3/c1-3-12-6-7-14(17)13(4-2)15(12)18-16(22)19(9-11-21)8-5-10-20/h6-7,20-21H,3-5,8-11H2,1-2H3,(H,18,22)
InChIKeyXUOYNKGPHCLGCE-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.67
Rot. Bonds8

About 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea

3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (PubChem CID 111578885) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
PubChem CID111578885
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N(CCO)CCCO
InChIInChI=1S/C16H25ClN2O3/c1-3-12-6-7-14(17)13(4-2)15(12)18-16(22)19(9-11-21)8-5-10-20/h6-7,20-21H,3-5,8-11H2,1-2H3,(H,18,22)
InChIKeyXUOYNKGPHCLGCE-UHFFFAOYSA-N
XLogP2.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
CID 56812801
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26198480
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
CID 38908667
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (CID 111578885) is 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is CCc1ccc(Cl)c(CC)c1NC(=O)N(CCO)CCCO.
What is the InChIKey of 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The InChIKey is XUOYNKGPHCLGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-3-12-6-7-14(17)13(4-2)15(12)18-16(22)19(9-11-21)8-5-10-20/h6-7,20-21H,3-5,8-11H2,1-2H3,(H,18,22).
What are the key properties of 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea has a molecular weight of 328.84 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 111578885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).