methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate

C18H19F3N2O4 — CID 2194489

IUPACmethyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C18H19F3N2O4/c1-4-22(5-2)15(24)10-23-9-13(16(25)18(19,20)21)12-7-6-11(8-14(12)23)17(26)27-3/h6-9H,4-5,10H2,1-3H3
InChIKeyFDZZHYPZYLCKFO-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.04
Rot. Bonds6

About methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate

methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate (PubChem CID 2194489) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
PubChem CID2194489
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Namemethyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C18H19F3N2O4/c1-4-22(5-2)15(24)10-23-9-13(16(25)18(19,20)21)12-7-6-11(8-14(12)23)17(26)27-3/h6-9H,4-5,10H2,1-3H3
InChIKeyFDZZHYPZYLCKFO-UHFFFAOYSA-N
XLogP3.04
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 21380599
methyl 1-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 21380621
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 21380606
2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
CID 143500326
methyl 4-(2-amino-4-methylpentyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-3-oxoquinoxaline-6-carboxylate;2,2,2-trifluoroacetic acid
CID 67565178
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
methyl 3-bromo-1-(2,2,2-trifluoroethyl)indole-5-carboxylate
CID 154814756
2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 50895879
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The IUPAC name of methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate (CID 2194489) is methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate is CCN(CC)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
The InChIKey is FDZZHYPZYLCKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-4-22(5-2)15(24)10-23-9-13(16(25)18(19,20)21)12-7-6-11(8-14(12)23)17(26)27-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate?
methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate has a molecular weight of 384.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate is sourced from PubChem (CID 2194489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).