1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

C24H20F3N3O — CID 53054171

IUPAC1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20F3N3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)29-21)30-23(31)28-18-7-5-6-17(14-18)24(25,26)27/h3-14,29H,2H2,1H3,(H2,28,30,31)
InChIKeyIXRJEUXVIHRYQM-UHFFFAOYSA-N
MW423.44 g/mol
LogP7.06
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 53054171) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID53054171
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20F3N3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)29-21)30-23(31)28-18-7-5-6-17(14-18)24(25,26)27/h3-14,29H,2H2,1H3,(H2,28,30,31)
InChIKeyIXRJEUXVIHRYQM-UHFFFAOYSA-N
XLogP7.06
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
1-(4-hexylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 27255794
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
4-ethyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17099913
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide
CID 141259293
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
2-ethyl-3-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 69353363
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-isoquinolin-1-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 56696689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 53054171) is 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IXRJEUXVIHRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)29-21)30-23(31)28-18-7-5-6-17(14-18)24(25,26)27/h3-14,29H,2H2,1H3,(H2,28,30,31).
What are the key properties of 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 423.44 g/mol, XLogP of 7.06, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 53054171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).