1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea

C12H17ClN2O3 — CID 90501196

IUPAC1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
SMILESCOCC(C)(O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-12(17,8-18-2)7-14-11(16)15-10-5-3-4-9(13)6-10/h3-6,17H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyFJGBRFMYJSMNJD-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.86
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea

1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea (PubChem CID 90501196) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
PubChem CID90501196
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
SMILESCOCC(C)(O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-12(17,8-18-2)7-14-11(16)15-10-5-3-4-9(13)6-10/h3-6,17H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyFJGBRFMYJSMNJD-UHFFFAOYSA-N
XLogP1.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842379
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
CID 95980205
1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
CID 112504926
methyl N-(3-chlorophenyl)carbamate
CID 16529

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea (CID 90501196) is 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea is COCC(C)(O)CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The InChIKey is FJGBRFMYJSMNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-12(17,8-18-2)7-14-11(16)15-10-5-3-4-9(13)6-10/h3-6,17H,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea has a molecular weight of 272.73 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 90501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).