propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

C23H24FNO4 — CID 90827726

IUPACpropan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCOc1cc2c(CC(=O)OC(C)C)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F
InChIInChI=1S/C23H24FNO4/c1-13(2)29-22(26)11-17-15(4)25(23(27)16-8-6-14(3)7-9-16)20-12-19(24)21(28-5)10-18(17)20/h6-10,12-13H,11H2,1-5H3
InChIKeyAPEKHRLZXNVZAG-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.59
Rot. Bonds5

About propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (PubChem CID 90827726) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
PubChem CID90827726
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Namepropan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCOc1cc2c(CC(=O)OC(C)C)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F
InChIInChI=1S/C23H24FNO4/c1-13(2)29-22(26)11-17-15(4)25(23(27)16-8-6-14(3)7-9-16)20-12-19(24)21(28-5)10-18(17)20/h6-10,12-13H,11H2,1-5H3
InChIKeyAPEKHRLZXNVZAG-UHFFFAOYSA-N
XLogP4.59
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate 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-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 87855138
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 18453961
2-[1-(4-cyanobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453572
[3-(2,2-dihydroxyethyl)-6-fluoro-5-methoxy-2-methylindol-1-yl]-[4-(1-fluoroethenyl)phenyl]methanone
CID 90928859
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
cyclobutyl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetate
CID 91047057
butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91195699
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
CID 91439556

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (CID 90827726) is propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is COc1cc2c(CC(=O)OC(C)C)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F.
What is the InChIKey of propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The InChIKey is APEKHRLZXNVZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-13(2)29-22(26)11-17-15(4)25(23(27)16-8-6-14(3)7-9-16)20-12-19(24)21(28-5)10-18(17)20/h6-10,12-13H,11H2,1-5H3.
What are the key properties of propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate has a molecular weight of 397.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is sourced from PubChem (CID 90827726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).