5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H16BrFN2O3 — CID 122192216

IUPAC5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2cc(Br)ccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2O3/c1-21-18(24)16-9-11-8-12(19)2-7-15(11)22(16)17(23)10-25-14-5-3-13(20)4-6-14/h2-8,16H,9-10H2,1H3,(H,21,24)
InChIKeyJSFWKMAXMHQBBE-UHFFFAOYSA-N
MW407.24 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 122192216) has the molecular formula C18H16BrFN2O3 and a molecular weight of 407.24 g/mol. Its IUPAC name is 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID122192216
Molecular FormulaC18H16BrFN2O3
Molecular Weight407.24 g/mol
Exact Mass406.03
IUPAC Name5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2cc(Br)ccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2O3/c1-21-18(24)16-9-11-8-12(19)2-7-15(11)22(16)17(23)10-25-14-5-3-13(20)4-6-14/h2-8,16H,9-10H2,1H3,(H,21,24)
InChIKeyJSFWKMAXMHQBBE-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone
CID 133159945
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074
N-[(1S)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782678
N-[(1R)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782674
(2R)-4-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946308
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
tert-butyl (2R)-5-bromo-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
CID 102395681
2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]-5-fluorobenzonitrile
CID 133322435
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 122192216) is 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2cc(Br)ccc2N1C(=O)COc1ccc(F)cc1.
What is the InChIKey of 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is JSFWKMAXMHQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3/c1-21-18(24)16-9-11-8-12(19)2-7-15(11)22(16)17(23)10-25-14-5-3-13(20)4-6-14/h2-8,16H,9-10H2,1H3,(H,21,24).
What are the key properties of 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 407.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).