2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

C22H23ClN2O3 — CID 91518735

IUPAC2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12
InChIInChI=1S/C22H23ClN2O3/c1-3-4-8-17(21(24)27)20-13(2)25(19-10-9-16(26)12-18(19)20)22(28)14-6-5-7-15(23)11-14/h5-7,9-12,17,26H,3-4,8H2,1-2H3,(H2,24,27)
InChIKeyVKVMXFXWWYXMMJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.76
Rot. Bonds6

About 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (PubChem CID 91518735) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
PubChem CID91518735
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12
InChIInChI=1S/C22H23ClN2O3/c1-3-4-8-17(21(24)27)20-13(2)25(19-10-9-16(26)12-18(19)20)22(28)14-6-5-7-15(23)11-14/h5-7,9-12,17,26H,3-4,8H2,1-2H3,(H2,24,27)
InChIKeyVKVMXFXWWYXMMJ-UHFFFAOYSA-N
XLogP4.76
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91303928
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
CID 91536323
(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 69485526
ethyl (2S)-2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487419
3-[[2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]butanoic acid
CID 69487096
(4S)-4-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 69485600
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
CID 91439556
(3S)-3-[3-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoylamino]butanoic acid
CID 69487263
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
N-butan-2-yl-3-[2-(butylamino)-1-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-2-oxoethyl]-2,4-bis[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-N'-(2-hydroxyethyl)pentanediamide
CID 87892888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The IUPAC name of 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (CID 91518735) is 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is CCCCC(C(N)=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The InChIKey is VKVMXFXWWYXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-3-4-8-17(21(24)27)20-13(2)25(19-10-9-16(26)12-18(19)20)22(28)14-6-5-7-15(23)11-14/h5-7,9-12,17,26H,3-4,8H2,1-2H3,(H2,24,27).
What are the key properties of 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide has a molecular weight of 398.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is sourced from PubChem (CID 91518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).