propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

C22H21F2NO4 — CID 90753955

IUPACpropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C22H21F2NO4/c1-4-9-29-21(26)11-16-13(2)25(22(27)14-5-7-15(23)8-6-14)19-12-18(24)20(28-3)10-17(16)19/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyRURKRNMQODHTHC-UHFFFAOYSA-N
MW401.41 g/mol
LogP4.42
Rot. Bonds6

About propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 90753955) has the molecular formula C22H21F2NO4 and a molecular weight of 401.41 g/mol. Its IUPAC name is propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
PubChem CID90753955
Molecular FormulaC22H21F2NO4
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Namepropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C22H21F2NO4/c1-4-9-29-21(26)11-16-13(2)25(22(27)14-5-7-15(23)8-6-14)19-12-18(24)20(28-3)10-17(16)19/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyRURKRNMQODHTHC-UHFFFAOYSA-N
XLogP4.42
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91308619
propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
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
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 87855138
N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
CID 69487191
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
[3-(2,2-dihydroxyethyl)-6-fluoro-5-methoxy-2-methylindol-1-yl]-[4-(1-fluoroethenyl)phenyl]methanone
CID 90928859
propyl 2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetate
CID 91062954
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
ethyl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91410763
cyclobutyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91054954

Frequently Asked Questions

What is the IUPAC name of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The IUPAC name of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 90753955) is propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The canonical SMILES for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is CCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(OC)cc12.
What is the InChIKey of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The InChIKey is RURKRNMQODHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO4/c1-4-9-29-21(26)11-16-13(2)25(22(27)14-5-7-15(23)8-6-14)19-12-18(24)20(28-3)10-17(16)19/h5-8,10,12H,4,9,11H2,1-3H3.
What are the key properties of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 401.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 90753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).