2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

C21H20ClFN2O3 — CID 69485684

IUPAC2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O3/c1-11(2)24-18(27)10-15-12(3)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)9-13/h4-9,11,26H,10H2,1-3H3,(H,24,27)
InChIKeyKIDFYPIRZLEPJI-UHFFFAOYSA-N
MW402.85 g/mol
LogP4.20
Rot. Bonds4

About 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (PubChem CID 69485684) has the molecular formula C21H20ClFN2O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
PubChem CID69485684
Molecular FormulaC21H20ClFN2O3
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O3/c1-11(2)24-18(27)10-15-12(3)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)9-13/h4-9,11,26H,10H2,1-3H3,(H,24,27)
InChIKeyKIDFYPIRZLEPJI-UHFFFAOYSA-N
XLogP4.20
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide 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-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488553
2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide
CID 87893322
2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide
CID 87892530
3-[[2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]butanoic acid
CID 69487096
propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91359129
N-butyl-2-[1-(3,4-dichlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485132
N-butyl-2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485210
2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 69485358
2-[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetaldehyde
CID 87854993
2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487991
ethyl 2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91390826
3-[[2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69487316

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (CID 69485684) is 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is Cc1c(CC(=O)NC(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is KIDFYPIRZLEPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O3/c1-11(2)24-18(27)10-15-12(3)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)9-13/h4-9,11,26H,10H2,1-3H3,(H,24,27).
What are the key properties of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 402.85 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).