butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

C23H24ClNO4 — CID 91195699

IUPACbutan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCCC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12
InChIInChI=1S/C23H24ClNO4/c1-5-14(3)29-22(27)11-17-15(4)25(20-12-19(24)21(26)10-18(17)20)23(28)16-8-6-13(2)7-9-16/h6-10,12,14,26H,5,11H2,1-4H3
InChIKeyFHFOYNMBTUDDOB-UHFFFAOYSA-N
MW413.90 g/mol
LogP5.19
Rot. Bonds5

About butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (PubChem CID 91195699) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.

Molecular Properties

Compound Namebutan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
PubChem CID91195699
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Namebutan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCCC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12
InChIInChI=1S/C23H24ClNO4/c1-5-14(3)29-22(27)11-17-15(4)25(20-12-19(24)21(26)10-18(17)20)23(28)16-8-6-13(2)7-9-16/h6-10,12,14,26H,5,11H2,1-4H3
InChIKeyFHFOYNMBTUDDOB-UHFFFAOYSA-N
XLogP5.19
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91121538
2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
CID 18453755
butan-2-yl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91396140
2-[6-chloro-1-(4-ethoxybenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453600
2-(1-benzoyl-6-chloro-5-hydroxy-2-methylindol-3-yl)acetic acid
CID 18453717
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
2-[1-(4-bromobenzoyl)-6-chloro-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453555
2-[6-chloro-1-[4-(difluoromethyl)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453585
[6-chloro-3-(2,2-dihydroxyethyl)-5-hydroxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 91121279
2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487727
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 69485753

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The IUPAC name of butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (CID 91195699) is butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.
What is the SMILES notation for butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The canonical SMILES for butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is CCC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12.
What is the InChIKey of butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The InChIKey is FHFOYNMBTUDDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4/c1-5-14(3)29-22(27)11-17-15(4)25(20-12-19(24)21(26)10-18(17)20)23(28)16-8-6-13(2)7-9-16/h6-10,12,14,26H,5,11H2,1-4H3.
What are the key properties of butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate has a molecular weight of 413.90 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is sourced from PubChem (CID 91195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).