1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

C17H16ClF3N2O2 — CID 3806234

IUPAC1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)CC(O)C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)
InChIKeyWDWBNWIFPHIYHQ-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.30
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (PubChem CID 3806234) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
PubChem CID3806234
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)CC(O)C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)
InChIKeyWDWBNWIFPHIYHQ-UHFFFAOYSA-N
XLogP4.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (CID 3806234) is 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)CC(O)C(F)(F)F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The InChIKey is WDWBNWIFPHIYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea has a molecular weight of 372.77 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 3806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).