1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea

C19H18F3N3O — CID 155746688

IUPAC1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-2-4-15(10-13)19(20,21)22)24-18(26)25-16-5-6-17-14(11-16)7-8-23-17/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26)
InChIKeyQQAJXUDALDHQGH-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.94
Rot. Bonds4

About 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea

1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 155746688) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID155746688
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-2-4-15(10-13)19(20,21)22)24-18(26)25-16-5-6-17-14(11-16)7-8-23-17/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26)
InChIKeyQQAJXUDALDHQGH-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-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 155412266
(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 11420463
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
1-[3-(1,1-difluoroethylsulfanyl)phenyl]-3-(1H-indol-5-yl)urea
CID 155742454
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
1-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3-(1H-indol-5-yl)urea
CID 121264541
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 155746688) is 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is CC(Cc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is QQAJXUDALDHQGH-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)25-16-5-6-17-14(11-16)7-8-23-17/h2-8,10-12,23H,9H2,1H3,(H2,24,25,26).
What are the key properties of 1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-(1H-indol-5-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-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 155746688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).