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

C18H16F3N3O2 — CID 11268483

IUPAC1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCN1C(=O)Cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C18H16F3N3O2/c1-24-15-4-2-3-14(13(15)9-16(24)25)23-17(26)22-10-11-5-7-12(8-6-11)18(19,20)21/h2-8H,9-10H2,1H3,(H2,22,23,26)
InChIKeyUYFJNTVXZQWDTQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.55
Rot. Bonds3

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

1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 11268483) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID11268483
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCN1C(=O)Cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C18H16F3N3O2/c1-24-15-4-2-3-14(13(15)9-16(24)25)23-17(26)22-10-11-5-7-12(8-6-11)18(19,20)21/h2-8H,9-10H2,1H3,(H2,22,23,26)
InChIKeyUYFJNTVXZQWDTQ-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-one
CID 9995379
N-(1-acetylindolin-6-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11618868
3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11683077
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)propyl)-3,3-dimethylindolin-2-one
CID 16067547
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
(R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067551
(R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
CID 16067840
4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 71657339
1-[(3S,4R)-4-(4-ethyl-2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 122582977
N-(2-Oxo-1-phenethyl-2,3-dihydro-1H-indol-3-yl)-acetamide
CID 646107

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 11268483) is 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is CN1C(=O)Cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is UYFJNTVXZQWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-24-15-4-2-3-14(13(15)9-16(24)25)23-17(26)22-10-11-5-7-12(8-6-11)18(19,20)21/h2-8H,9-10H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 363.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3H-indol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 11268483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).