1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C14H20Cl2N2O2 — CID 103709984

IUPAC1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-10(4-5-19)9-17-14(20)18-13-7-11(15)6-12(16)8-13/h6-8,10,19H,2-5,9H2,1H3,(H2,17,18,20)
InChIKeyOJVANISLOSQOHN-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.91
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 103709984) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID103709984
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-10(4-5-19)9-17-14(20)18-13-7-11(15)6-12(16)8-13/h6-8,10,19H,2-5,9H2,1H3,(H2,17,18,20)
InChIKeyOJVANISLOSQOHN-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
CID 107654102
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473082

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 103709984) is 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is OJVANISLOSQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-2-3-10(4-5-19)9-17-14(20)18-13-7-11(15)6-12(16)8-13/h6-8,10,19H,2-5,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 319.23 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 103709984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).