methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate

C19H16FNO4 — CID 133167372

IUPACmethyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)C(C)Oc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H16FNO4/c1-12(25-14-9-7-13(20)8-10-14)18(22)21-11-16(19(23)24-2)15-5-3-4-6-17(15)21/h3-12H,1-2H3
InChIKeyLYPJJJYGRJFWRU-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.67
Rot. Bonds4

About methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate

methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate (PubChem CID 133167372) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
PubChem CID133167372
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)C(C)Oc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H16FNO4/c1-12(25-14-9-7-13(20)8-10-14)18(22)21-11-16(19(23)24-2)15-5-3-4-6-17(15)21/h3-12H,1-2H3
InChIKeyLYPJJJYGRJFWRU-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
CID 2202954
methyl 1-[2-(4-chloro-3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 17308648
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-[(2R)-2-(4-nitrophenyl)propanoyl]indole-3-carboxylate
CID 1314031
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
CID 178035422
methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate (CID 133167372) is methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate is COC(=O)c1cn(C(=O)C(C)Oc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate?
The InChIKey is LYPJJJYGRJFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-12(25-14-9-7-13(20)8-10-14)18(22)21-11-16(19(23)24-2)15-5-3-4-6-17(15)21/h3-12H,1-2H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate?
methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate is sourced from PubChem (CID 133167372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).