1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea

C19H18F3N3O — CID 155412266

IUPAC1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-2-4-15(10-13)19(20,21)22)24-18(26)25-16-6-5-14-7-8-23-17(14)11-16/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26)
InChIKeyFZVYGIXROHATGG-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.94
Rot. Bonds4

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

1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 155412266) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID155412266
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-2-4-15(10-13)19(20,21)22)24-18(26)25-16-6-5-14-7-8-23-17(14)11-16/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26)
InChIKeyFZVYGIXROHATGG-UHFFFAOYSA-N
XLogP4.94
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 155746688
[4-[3-(1H-indol-6-ylcarbamoylamino)butyl]phenyl] acetate;hydrochloride
CID 168974058
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 155412266) is 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is CC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is FZVYGIXROHATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-12(9-13-3-2-4-15(10-13)19(20,21)22)24-18(26)25-16-6-5-14-7-8-23-17(14)11-16/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26).
What are the key properties of 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 361.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 155412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).