(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide

C21H19Cl2FN2O3 — CID 69485632

IUPAC(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide
SMILESCc1c([C@@H](C)CCC(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2FN2O3/c1-10(3-6-19(25)28)20-11(2)26(17-9-16(24)18(27)8-13(17)20)21(29)12-4-5-14(22)15(23)7-12/h4-5,7-10,27H,3,6H2,1-2H3,(H2,25,28)/t10-/m0/s1
InChIKeyNPQTUEUXADFYIK-JTQLQIEISA-N
MW437.30 g/mol
LogP5.16
Rot. Bonds5

About (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide

(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide (PubChem CID 69485632) has the molecular formula C21H19Cl2FN2O3 and a molecular weight of 437.30 g/mol. Its IUPAC name is (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide.

Molecular Properties

Compound Name(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide
PubChem CID69485632
Molecular FormulaC21H19Cl2FN2O3
Molecular Weight437.30 g/mol
Exact Mass436.08
IUPAC Name(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide
SMILESCc1c([C@@H](C)CCC(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2FN2O3/c1-10(3-6-19(25)28)20-11(2)26(17-9-16(24)18(27)8-13(17)20)21(29)12-4-5-14(22)15(23)7-12/h4-5,7-10,27H,3,6H2,1-2H3,(H2,25,28)/t10-/m0/s1
InChIKeyNPQTUEUXADFYIK-JTQLQIEISA-N
XLogP5.16
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.30
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide 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

(4S)-4-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 69485600
2-[1-(4-bromobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanamide
CID 90943621
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
ethyl (2S)-2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487419
(2R)-2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-(hydroxymethyl)propanamide
CID 69485260
[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-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
3-[2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoylamino]propanoic acid
CID 69487598
2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029128
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
2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487727

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide?
The IUPAC name of (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide (CID 69485632) is (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide.
What is the SMILES notation for (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide?
The canonical SMILES for (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide is Cc1c([C@@H](C)CCC(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide?
The InChIKey is NPQTUEUXADFYIK-JTQLQIEISA-N. The full InChI is InChI=1S/C21H19Cl2FN2O3/c1-10(3-6-19(25)28)20-11(2)26(17-9-16(24)18(27)8-13(17)20)21(29)12-4-5-14(22)15(23)7-12/h4-5,7-10,27H,3,6H2,1-2H3,(H2,25,28)/t10-/m0/s1.
What are the key properties of (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide?
(4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide has a molecular weight of 437.30 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]pentanamide is sourced from PubChem (CID 69485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).