(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

C22H23FN2O3 — CID 69485208

IUPAC(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12
InChIInChI=1S/C22H23FN2O3/c1-3-14(7-10-20(24)27)21-13(2)25(19-9-8-17(26)12-18(19)21)22(28)15-5-4-6-16(23)11-15/h4-6,8-9,11-12,14,26H,3,7,10H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyFJOONKJLAXXCKV-AWEZNQCLSA-N
MW382.44 g/mol
LogP4.24
Rot. Bonds6

About (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (PubChem CID 69485208) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.

Molecular Properties

Compound Name(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
PubChem CID69485208
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12
InChIInChI=1S/C22H23FN2O3/c1-3-14(7-10-20(24)27)21-13(2)25(19-9-8-17(26)12-18(19)21)22(28)15-5-4-6-16(23)11-15/h4-6,8-9,11-12,14,26H,3,7,10H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyFJOONKJLAXXCKV-AWEZNQCLSA-N
XLogP4.24
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
CID 159665
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
Iodoindomethacin
CID 447835
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
Cinmetacin
CID 6433761
1-[5-Hydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethanone
CID 537520
3-(5-hydroxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327673
(5-hydroxy-1H-indol-2-yl)(1H-indol-2-yl)methanone
CID 5330535
1,2,3,4-Tetrahydropyrido[3,4-b]indole 11
CID 6539926
1,2,3,4-Tetrahydropyrido[3,4-b]indole 13
CID 6539928
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 10929854
N,1-bis[(3-carbamimidoylphenyl)methyl]-5-hydroxy-1H-indole-2-carboxamide
CID 11070239

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The IUPAC name of (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (CID 69485208) is (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.
What is the SMILES notation for (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The canonical SMILES for (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is CC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12.
What is the InChIKey of (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The InChIKey is FJOONKJLAXXCKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-14(7-10-20(24)27)21-13(2)25(19-9-8-17(26)12-18(19)21)22(28)15-5-4-6-16(23)11-15/h4-6,8-9,11-12,14,26H,3,7,10H2,1-2H3,(H2,24,27)/t14-/m0/s1.
What are the key properties of (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
(4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide has a molecular weight of 382.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is sourced from PubChem (CID 69485208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).