3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea

C20H19F4N3O — CID 86874108

IUPAC3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19F4N3O/c1-27(12-13-3-2-4-15(9-13)20(22,23)24)19(28)25-8-7-14-11-26-18-10-16(21)5-6-17(14)18/h2-6,9-11,26H,7-8,12H2,1H3,(H,25,28)
InChIKeyYVEFRWWMSNCNOQ-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.71
Rot. Bonds5

About 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea

3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 86874108) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID86874108
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19F4N3O/c1-27(12-13-3-2-4-15(9-13)20(22,23)24)19(28)25-8-7-14-11-26-18-10-16(21)5-6-17(14)18/h2-6,9-11,26H,7-8,12H2,1H3,(H,25,28)
InChIKeyYVEFRWWMSNCNOQ-UHFFFAOYSA-N
XLogP4.71
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 86874101
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 110996583
1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 86874108) is 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is YVEFRWWMSNCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-27(12-13-3-2-4-15(9-13)20(22,23)24)19(28)25-8-7-14-11-26-18-10-16(21)5-6-17(14)18/h2-6,9-11,26H,7-8,12H2,1H3,(H,25,28).
What are the key properties of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 393.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 86874108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).