1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

C23H23ClN2O2 — CID 121085776

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27)
InChIKeyJPXBJUSOLMBSSJ-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.71
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (PubChem CID 121085776) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
PubChem CID121085776
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27)
InChIKeyJPXBJUSOLMBSSJ-UHFFFAOYSA-N
XLogP4.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 95982924
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (CID 121085776) is 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is CC(O)(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The InChIKey is JPXBJUSOLMBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea has a molecular weight of 394.90 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 121085776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).