(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone

C18H16F3NO — CID 143074262

IUPAC(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc21
InChIInChI=1S/C18H16F3NO/c1-3-18(2)10-22(16-7-5-12(19)9-13(16)18)17(23)11-4-6-14(20)15(21)8-11/h4-9H,3,10H2,1-2H3
InChIKeyAGAVBRBAQYGZCV-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.43
Rot. Bonds2

About (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone

(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone (PubChem CID 143074262) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone
PubChem CID143074262
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc21
InChIInChI=1S/C18H16F3NO/c1-3-18(2)10-22(16-7-5-12(19)9-13(16)18)17(23)11-4-6-14(20)15(21)8-11/h4-9H,3,10H2,1-2H3
InChIKeyAGAVBRBAQYGZCV-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
cyclopropane;[3-ethyl-5-fluoro-3-[2-[methyl(propyl)amino]ethyl]-2H-indol-1-yl]-(3-nitrophenyl)methanone
CID 143074143
(1'-butyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(4-nitrophenyl)methanone;ethane
CID 143399570
(2-chloro-4-pyridinyl)-(5-fluorospiro[2H-indole-3,4'-piperidin-1-ium]-1-yl)methanone chloride
CID 87375659
3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015216
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
CID 59003926
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
CID 11246409
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
CID 59004130
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
1-acetyl-5-fluoro-3,3-dimethyl-2H-indole-6-sulfonyl chloride;1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)ethanone
CID 158942415

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone (CID 143074262) is (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone is CCC1(C)CN(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc21.
What is the InChIKey of (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone?
The InChIKey is AGAVBRBAQYGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-3-18(2)10-22(16-7-5-12(19)9-13(16)18)17(23)11-4-6-14(20)15(21)8-11/h4-9H,3,10H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone?
(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone has a molecular weight of 319.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone is sourced from PubChem (CID 143074262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).