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

C24H27FN2O3 — CID 91439556

IUPAC2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C24H27FN2O3/c1-5-6-7-17(23(26)28)22-15(3)27(24(29)16-10-8-14(2)9-11-16)20-13-19(25)21(30-4)12-18(20)22/h8-13,17H,5-7H2,1-4H3,(H2,26,28)
InChIKeyCEEDFSNFZJAHJY-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.85
Rot. Bonds7

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

2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide (PubChem CID 91439556) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide.

Molecular Properties

Compound Name2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
PubChem CID91439556
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C24H27FN2O3/c1-5-6-7-17(23(26)28)22-15(3)27(24(29)16-10-8-14(2)9-11-16)20-13-19(25)21(30-4)12-18(20)22/h8-13,17H,5-7H2,1-4H3,(H2,26,28)
InChIKeyCEEDFSNFZJAHJY-UHFFFAOYSA-N
XLogP4.85
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91303928
2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]pentanamide
CID 91357277
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 87855138
propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
CID 91536323
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955
N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
CID 69487191
2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91518735
[3-(2,2-dihydroxyethyl)-6-fluoro-5-methoxy-2-methylindol-1-yl]-[4-(1-fluoroethenyl)phenyl]methanone
CID 90928859
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide?
The IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide (CID 91439556) is 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide.
What is the SMILES notation for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide?
The canonical SMILES for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide is CCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(OC)cc12.
What is the InChIKey of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide?
The InChIKey is CEEDFSNFZJAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-5-6-7-17(23(26)28)22-15(3)27(24(29)16-10-8-14(2)9-11-16)20-13-19(25)21(30-4)12-18(20)22/h8-13,17H,5-7H2,1-4H3,(H2,26,28).
What are the key properties of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide?
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide has a molecular weight of 410.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide is sourced from PubChem (CID 91439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).