2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide

C21H20F2N2O3 — CID 91536323

IUPAC2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
SMILESCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12
InChIInChI=1S/C21H20F2N2O3/c1-3-4-14(20(24)27)19-11(2)25(18-8-6-13(26)10-15(18)19)21(28)12-5-7-16(22)17(23)9-12/h5-10,14,26H,3-4H2,1-2H3,(H2,24,27)
InChIKeyHISICNZGOTXRJL-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.99
Rot. Bonds5

About 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide

2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide (PubChem CID 91536323) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
PubChem CID91536323
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
SMILESCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12
InChIInChI=1S/C21H20F2N2O3/c1-3-4-14(20(24)27)19-11(2)25(18-8-6-13(26)10-15(18)19)21(28)12-5-7-16(22)17(23)9-12/h5-10,14,26H,3-4H2,1-2H3,(H2,24,27)
InChIKeyHISICNZGOTXRJL-UHFFFAOYSA-N
XLogP3.99
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91303928
2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91518735
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
3-[[(2S)-2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]propanoic acid
CID 69487453
2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]pentanamide
CID 91357277
methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91513909
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
CID 91439556
(4S)-4-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 69485600
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029121
2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029128
2-[[(2R)-2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]acetic acid
CID 69487709
(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 69485526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide?
The IUPAC name of 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide (CID 91536323) is 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide.
What is the SMILES notation for 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide?
The canonical SMILES for 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide is CCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide?
The InChIKey is HISICNZGOTXRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-3-4-14(20(24)27)19-11(2)25(18-8-6-13(26)10-15(18)19)21(28)12-5-7-16(22)17(23)9-12/h5-10,14,26H,3-4H2,1-2H3,(H2,24,27).
What are the key properties of 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide?
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide has a molecular weight of 386.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide is sourced from PubChem (CID 91536323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).