2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide

C19H16BrFN2O3 — CID 90943621

IUPAC2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide
SMILESCc1c(C(C)C(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrFN2O3/c1-9(18(22)25)17-10(2)23(15-8-14(21)16(24)7-13(15)17)19(26)11-3-5-12(20)6-4-11/h3-9,24H,1-2H3,(H2,22,25)
InChIKeyISPMRFXODWEQLR-UHFFFAOYSA-N
MW419.25 g/mol
LogP3.83
Rot. Bonds3

About 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide

2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide (PubChem CID 90943621) has the molecular formula C19H16BrFN2O3 and a molecular weight of 419.25 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide
PubChem CID90943621
Molecular FormulaC19H16BrFN2O3
Molecular Weight419.25 g/mol
Exact Mass418.03
IUPAC Name2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide
SMILESCc1c(C(C)C(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrFN2O3/c1-9(18(22)25)17-10(2)23(15-8-14(21)16(24)7-13(15)17)19(26)11-3-5-12(20)6-4-11/h3-9,24H,1-2H3,(H2,22,25)
InChIKeyISPMRFXODWEQLR-UHFFFAOYSA-N
XLogP3.83
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S)-2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487810
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029121
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
ethyl (2S)-2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487419
[2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetyl] 2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]-3-methylbutanoate
CID 87854276
(2S)-2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-3-methylpentanoate
CID 154440389
2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91303928
2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]pentanamide
CID 91357277
2-[1-(4-chlorobenzoyl)-5-[2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]-3-methylbutanoyl]oxy-6-fluoro-2-methylindol-3-yl]acetic acid
CID 69485691
3-[2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoylamino]propanoic acid
CID 69487598
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91308619
2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide (CID 90943621) is 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide is Cc1c(C(C)C(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide?
The InChIKey is ISPMRFXODWEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O3/c1-9(18(22)25)17-10(2)23(15-8-14(21)16(24)7-13(15)17)19(26)11-3-5-12(20)6-4-11/h3-9,24H,1-2H3,(H2,22,25).
What are the key properties of 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide?
2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide has a molecular weight of 419.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide is sourced from PubChem (CID 90943621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).