propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate

C21H19ClFNO4 — CID 91359129

IUPACpropan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCc1c(CC(=O)OC(C)C)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClFNO4/c1-11(2)28-18(26)10-15-12(3)24(16-8-9-17(25)20(23)19(15)16)21(27)13-4-6-14(22)7-5-13/h4-9,11,25H,10H2,1-3H3
InChIKeyRWYVLMNVBQEIAK-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.63
Rot. Bonds4

About propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate

propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate (PubChem CID 91359129) has the molecular formula C21H19ClFNO4 and a molecular weight of 403.84 g/mol. Its IUPAC name is propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
PubChem CID91359129
Molecular FormulaC21H19ClFNO4
Molecular Weight403.84 g/mol
Exact Mass403.10
IUPAC Namepropan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCc1c(CC(=O)OC(C)C)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClFNO4/c1-11(2)28-18(26)10-15-12(3)24(16-8-9-17(25)20(23)19(15)16)21(27)13-4-6-14(22)7-5-13/h4-9,11,25H,10H2,1-3H3
InChIKeyRWYVLMNVBQEIAK-UHFFFAOYSA-N
XLogP4.63
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 90945417
ethyl 2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91390826
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
methyl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 91420812
tert-butyl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 91501750
[(2R)-butan-2-yl] 2-[1-(3,4-difluorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 158982314
methyl 2-[4-amino-1-(4-chlorobenzoyl)-5-(1-hydroxyethyl)-2-methylindol-3-yl]acetate
CID 89057194
2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69485684
propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
3-[[2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69487316
3-[[2-[4-chloro-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69488235
tert-butyl 2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91458818

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate (CID 91359129) is propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate is Cc1c(CC(=O)OC(C)C)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate?
The InChIKey is RWYVLMNVBQEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO4/c1-11(2)28-18(26)10-15-12(3)24(16-8-9-17(25)20(23)19(15)16)21(27)13-4-6-14(22)7-5-13/h4-9,11,25H,10H2,1-3H3.
What are the key properties of propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate?
propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate has a molecular weight of 403.84 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 91359129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).