[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate

C21H21FN2O3 — CID 46518993

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-3-24-13-18(17-6-4-5-7-19(17)24)21(26)27-14-20(25)23(2)12-15-8-10-16(22)11-9-15/h4-11,13H,3,12,14H2,1-2H3
InChIKeyNWNZULPXOFUHFT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.62
Rot. Bonds6

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate (PubChem CID 46518993) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
PubChem CID46518993
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-3-24-13-18(17-6-4-5-7-19(17)24)21(26)27-14-20(25)23(2)12-15-8-10-16(22)11-9-15/h4-11,13H,3,12,14H2,1-2H3
InChIKeyNWNZULPXOFUHFT-UHFFFAOYSA-N
XLogP3.62
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327365
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16576152
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908220
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18080617
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18157997

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate (CID 46518993) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate?
The InChIKey is NWNZULPXOFUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-3-24-13-18(17-6-4-5-7-19(17)24)21(26)27-14-20(25)23(2)12-15-8-10-16(22)11-9-15/h4-11,13H,3,12,14H2,1-2H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 46518993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).