3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide

C20H19BrF2N2O2 — CID 166586113

IUPAC3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C20H19BrF2N2O2/c1-11(10-26)24-18(27)7-6-15-16-8-13(21)9-17(23)20(16)25-19(15)12-2-4-14(22)5-3-12/h2-5,8-9,11,25-26H,6-7,10H2,1H3,(H,24,27)/t11-/m1/s1
InChIKeyPTENQYWPOBQVPJ-LLVKDONJSA-N
MW437.28 g/mol
LogP4.31
Rot. Bonds6

About 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide

3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide (PubChem CID 166586113) has the molecular formula C20H19BrF2N2O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
PubChem CID166586113
Molecular FormulaC20H19BrF2N2O2
Molecular Weight437.28 g/mol
Exact Mass436.06
IUPAC Name3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C20H19BrF2N2O2/c1-11(10-26)24-18(27)7-6-15-16-8-13(21)9-17(23)20(16)25-19(15)12-2-4-14(22)5-3-12/h2-5,8-9,11,25-26H,6-7,10H2,1H3,(H,24,27)/t11-/m1/s1
InChIKeyPTENQYWPOBQVPJ-LLVKDONJSA-N
XLogP4.31
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-hydroxypropan-2-yl)propanamide
CID 166885932
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide
CID 166886097
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate
CID 166585911
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 166585759
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate
CID 166586111
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(3-methyloxolan-3-yl)propanamide
CID 166585788

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide (CID 166586113) is 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide is C[C@H](CO)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Br)cc12.
What is the InChIKey of 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is PTENQYWPOBQVPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19BrF2N2O2/c1-11(10-26)24-18(27)7-6-15-16-8-13(21)9-17(23)20(16)25-19(15)12-2-4-14(22)5-3-12/h2-5,8-9,11,25-26H,6-7,10H2,1H3,(H,24,27)/t11-/m1/s1.
What are the key properties of 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 437.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 166586113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).