1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea

C26H17Cl2F3N2O2 — CID 71718727

IUPAC1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H17Cl2F3N2O2/c27-18-11-13-23(20(28)15-18)35-24-12-10-17(26(29,30)31)14-22(24)33-25(34)32-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-15H,(H2,32,33,34)
InChIKeyUTSUQSYWADZTRO-UHFFFAOYSA-N
MW517.33 g/mol
LogP9.12
Rot. Bonds5

About 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea (PubChem CID 71718727) has the molecular formula C26H17Cl2F3N2O2 and a molecular weight of 517.33 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
PubChem CID71718727
Molecular FormulaC26H17Cl2F3N2O2
Molecular Weight517.33 g/mol
Exact Mass516.06
IUPAC Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H17Cl2F3N2O2/c27-18-11-13-23(20(28)15-18)35-24-12-10-17(26(29,30)31)14-22(24)33-25(34)32-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-15H,(H2,32,33,34)
InChIKeyUTSUQSYWADZTRO-UHFFFAOYSA-N
XLogP9.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.33
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 71718728
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 71552865
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
CID 71718130
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
5-chloro-2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzenesulfonic acid
CID 23211124
2-[2-[(4-bromophenyl)carbamoylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15291672
4-[2-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 2732170
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271032
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea (CID 71718727) is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea is O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The InChIKey is UTSUQSYWADZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2F3N2O2/c27-18-11-13-23(20(28)15-18)35-24-12-10-17(26(29,30)31)14-22(24)33-25(34)32-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-15H,(H2,32,33,34).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea has a molecular weight of 517.33 g/mol, XLogP of 9.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 71718727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).