1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea

C13H19ClN2O2 — CID 113234927

IUPAC1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
SMILESCCCC(C)(O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-3-8-13(2,18)9-15-12(17)16-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyLEHRXCAUCAZZHB-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea

1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea (PubChem CID 113234927) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
PubChem CID113234927
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
SMILESCCCC(C)(O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-3-8-13(2,18)9-15-12(17)16-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyLEHRXCAUCAZZHB-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984573
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea (CID 113234927) is 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea is CCCC(C)(O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea?
The InChIKey is LEHRXCAUCAZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-8-13(2,18)9-15-12(17)16-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea?
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea has a molecular weight of 270.76 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 113234927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).