2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide

C18H14ClFN2O3 — CID 69487727

IUPAC2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c1-9-12(7-17(21)24)13-6-16(23)14(19)8-15(13)22(9)18(25)10-2-4-11(20)5-3-10/h2-6,8,23H,7H2,1H3,(H2,21,24)
InChIKeyWUWDRHLHLZWRJY-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.16
Rot. Bonds3

About 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide

2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide (PubChem CID 69487727) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
PubChem CID69487727
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c1-9-12(7-17(21)24)13-6-16(23)14(19)8-15(13)22(9)18(25)10-2-4-11(20)5-3-10/h2-6,8,23H,7H2,1H3,(H2,21,24)
InChIKeyWUWDRHLHLZWRJY-UHFFFAOYSA-N
XLogP3.16
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
CID 18453755
2-(1-benzoyl-6-chloro-5-hydroxy-2-methylindol-3-yl)acetic acid
CID 18453717
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
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid
CID 11224105
[6-chloro-3-(2,2-dihydroxyethyl)-5-hydroxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 91121279
2-[6-chloro-1-(4-ethoxybenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453600
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91308619
butan-2-yl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91195699
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 69485753
cyclobutyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91054954
3-[[2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69487257

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide?
The IUPAC name of 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide (CID 69487727) is 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide is Cc1c(CC(N)=O)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide?
The InChIKey is WUWDRHLHLZWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-9-12(7-17(21)24)13-6-16(23)14(19)8-15(13)22(9)18(25)10-2-4-11(20)5-3-10/h2-6,8,23H,7H2,1H3,(H2,21,24).
What are the key properties of 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide?
2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide has a molecular weight of 360.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 69487727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).