methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate

C12H11FN2O3 — CID 47153631

IUPACmethyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-11(16)6-14-12(17)10-5-7-8(13)3-2-4-9(7)15-10/h2-5,15H,6H2,1H3,(H,14,17)
InChIKeyFYUIFEQFIAGHFQ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate

methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate (PubChem CID 47153631) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
PubChem CID47153631
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C12H11FN2O3/c1-18-11(16)6-14-12(17)10-5-7-8(13)3-2-4-9(7)15-10/h2-5,15H,6H2,1H3,(H,14,17)
InChIKeyFYUIFEQFIAGHFQ-UHFFFAOYSA-N
XLogP1.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Devazepide
CID 443375
Rhetsinine
CID 99652
CK-666
CID 589075
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 25209788
Ezm-0414
CID 146395245
[3H]Devazepide
CID 59751
N-Phenyl-1H-indole-2-carboxamide
CID 589138
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4906599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate (CID 47153631) is methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate?
The InChIKey is FYUIFEQFIAGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-11(16)6-14-12(17)10-5-7-8(13)3-2-4-9(7)15-10/h2-5,15H,6H2,1H3,(H,14,17).
What are the key properties of methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate?
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate has a molecular weight of 250.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate is sourced from PubChem (CID 47153631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).