1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea

C23H20ClF3N2O — CID 17087721

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H20ClF3N2O/c24-20-12-11-18(23(25,26)27)15-21(20)29-22(30)28-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,28,29,30)
InChIKeyFGSDRNYBYFOLIG-UHFFFAOYSA-N
MW432.87 g/mol
LogP6.70
Rot. Bonds6

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea (PubChem CID 17087721) has the molecular formula C23H20ClF3N2O and a molecular weight of 432.87 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
PubChem CID17087721
Molecular FormulaC23H20ClF3N2O
Molecular Weight432.87 g/mol
Exact Mass432.12
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H20ClF3N2O/c24-20-12-11-18(23(25,26)27)15-21(20)29-22(30)28-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,28,29,30)
InChIKeyFGSDRNYBYFOLIG-UHFFFAOYSA-N
XLogP6.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-prop-2-ynylazanium
CID 9357594
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 2427757

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea (CID 17087721) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The InChIKey is FGSDRNYBYFOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O/c24-20-12-11-18(23(25,26)27)15-21(20)29-22(30)28-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,28,29,30).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea?
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea has a molecular weight of 432.87 g/mol, XLogP of 6.70, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 17087721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).