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

C22H14Cl2F6N2O3 — CID 71552865

IUPAC1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C22H14Cl2F6N2O3/c1-34-17-7-4-13(10-14(17)22(28,29)30)31-20(33)32-16-8-11(21(25,26)27)2-5-19(16)35-18-6-3-12(23)9-15(18)24/h2-10H,1H3,(H2,31,32,33)
InChIKeyZVEOBXFZZDHVQE-UHFFFAOYSA-N
MW539.26 g/mol
LogP8.48
Rot. Bonds5

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

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea (PubChem CID 71552865) has the molecular formula C22H14Cl2F6N2O3 and a molecular weight of 539.26 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
PubChem CID71552865
Molecular FormulaC22H14Cl2F6N2O3
Molecular Weight539.26 g/mol
Exact Mass538.03
IUPAC Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C22H14Cl2F6N2O3/c1-34-17-7-4-13(10-14(17)22(28,29)30)31-20(33)32-16-8-11(21(25,26)27)2-5-19(16)35-18-6-3-12(23)9-15(18)24/h2-10H,1H3,(H2,31,32,33)
InChIKeyZVEOBXFZZDHVQE-UHFFFAOYSA-N
XLogP8.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.26
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 71718728
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 71718727
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
5-chloro-2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzenesulfonate
CID 4685844
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
CID 71718130
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
5-chloro-2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzenesulfonic acid
CID 23211124
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 17298469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea (CID 71552865) is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZVEOBXFZZDHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F6N2O3/c1-34-17-7-4-13(10-14(17)22(28,29)30)31-20(33)32-16-8-11(21(25,26)27)2-5-19(16)35-18-6-3-12(23)9-15(18)24/h2-10H,1H3,(H2,31,32,33).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea has a molecular weight of 539.26 g/mol, XLogP of 8.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71552865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).