3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea

C23H21F3N2O2 — CID 10693107

IUPAC3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21F3N2O2/c1-28(2)21(29)27-20-14-13-18(23(24,25)26)15-19(20)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,30H,1-2H3,(H,27,29)
InChIKeyAMFMAGAOEYRIQN-UHFFFAOYSA-N
MW414.43 g/mol
LogP5.08
Rot. Bonds4

About 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea

3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea (PubChem CID 10693107) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea
PubChem CID10693107
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21F3N2O2/c1-28(2)21(29)27-20-14-13-18(23(24,25)26)15-19(20)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,30H,1-2H3,(H,27,29)
InChIKeyAMFMAGAOEYRIQN-UHFFFAOYSA-N
XLogP5.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea (CID 10693107) is 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The InChIKey is AMFMAGAOEYRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-28(2)21(29)27-20-14-13-18(23(24,25)26)15-19(20)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,30H,1-2H3,(H,27,29).
What are the key properties of 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea?
3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea has a molecular weight of 414.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy(diphenyl)methyl]-4-(trifluoromethyl)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 10693107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).