1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea

C18H16F6N2O3 — CID 2327387

IUPAC1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F6N2O3/c1-11-2-4-12(5-3-11)25-16(27)26-13-6-14(28-9-17(19,20)21)8-15(7-13)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26,27)
InChIKeyUIODLUKTRRMRAR-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.52
Rot. Bonds6

About 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea

1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea (PubChem CID 2327387) has the molecular formula C18H16F6N2O3 and a molecular weight of 422.33 g/mol. Its IUPAC name is 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea
PubChem CID2327387
Molecular FormulaC18H16F6N2O3
Molecular Weight422.33 g/mol
Exact Mass422.11
IUPAC Name1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F6N2O3/c1-11-2-4-12(5-3-11)25-16(27)26-13-6-14(28-9-17(19,20)21)8-15(7-13)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26,27)
InChIKeyUIODLUKTRRMRAR-UHFFFAOYSA-N
XLogP5.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
N-(4-ethylphenyl)-N'-(3-methoxyphenyl)urea
CID 6469717
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25015205
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(3-methoxy-4-methylphenyl)urea
CID 56835091
1-[3-(Trifluoromethoxy)phenyl]-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 117954385
1-(3-Methoxyphenyl)-3-(O-tolyl)urea
CID 2787274
1-(3-Methylphenyl)-3-[3-(pentafluorophenoxy)phenyl]urea
CID 2011082
1-[3,5-Bis(2,2,2-trifluoroethoxy)phenyl]-3-phenylurea
CID 2328694
1-[3,5-Bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-ethoxyphenyl)urea
CID 2328695
1-[3,5-Bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-fluorophenyl)urea
CID 3679708
1-[3,5-Bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 5032760
1-(3-methoxy-5-pentoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 71454051

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea (CID 2327387) is 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1.
What is the InChIKey of 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is UIODLUKTRRMRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O3/c1-11-2-4-12(5-3-11)25-16(27)26-13-6-14(28-9-17(19,20)21)8-15(7-13)29-10-18(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26,27).
What are the key properties of 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea?
1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 422.33 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 2327387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).