1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea

C16H17ClN2O2 — CID 115621952

IUPAC1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-16(11-20,12-5-3-2-4-6-12)19-15(21)18-14-9-7-13(17)8-10-14/h2-10,20H,11H2,1H3,(H2,18,19,21)
InChIKeyCUEGHBOMHYNNLK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea

1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea (PubChem CID 115621952) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
PubChem CID115621952
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-16(11-20,12-5-3-2-4-6-12)19-15(21)18-14-9-7-13(17)8-10-14/h2-10,20H,11H2,1H3,(H2,18,19,21)
InChIKeyCUEGHBOMHYNNLK-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-[4-(2-cyanopropan-2-yl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86899617
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
CID 90040437
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
CID 4130294
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea (CID 115621952) is 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea is CC(CO)(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea?
The InChIKey is CUEGHBOMHYNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(11-20,12-5-3-2-4-6-12)19-15(21)18-14-9-7-13(17)8-10-14/h2-10,20H,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea?
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea has a molecular weight of 304.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea is sourced from PubChem (CID 115621952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).