[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate

C21H19ClN2O5 — CID 57252388

IUPAC[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate
SMILESCOc1ccc2c(c1)c(C(OC(C)=O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O5/c1-11-18(19(20(23)26)29-12(2)25)16-10-15(28-3)8-9-17(16)24(11)21(27)13-4-6-14(22)7-5-13/h4-10,19H,1-3H3,(H2,23,26)
InChIKeyLSXRNQVNACXSSN-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.39
Rot. Bonds5

About [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate

[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate (PubChem CID 57252388) has the molecular formula C21H19ClN2O5 and a molecular weight of 414.85 g/mol. Its IUPAC name is [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate
PubChem CID57252388
Molecular FormulaC21H19ClN2O5
Molecular Weight414.85 g/mol
Exact Mass414.10
IUPAC Name[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate
SMILESCOc1ccc2c(c1)c(C(OC(C)=O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O5/c1-11-18(19(20(23)26)29-12(2)25)16-10-15(28-3)8-9-17(16)24(11)21(27)13-4-6-14(22)7-5-13/h4-10,19H,1-3H3,(H2,23,26)
InChIKeyLSXRNQVNACXSSN-UHFFFAOYSA-N
XLogP3.39
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate with MolForge

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Related Compounds

potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
(2-amino-2-oxo-1-phenylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 16596434
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
3,7-dimethylocta-2,6-dienyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]propanoate
CID 54539232
(2S)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 167311443
(4-chlorophenyl)-[3-(2,3-dihydroxypropyl)-5-methoxy-2-methylindol-1-yl]methanone
CID 154158103
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate (CID 57252388) is [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate is COc1ccc2c(c1)c(C(OC(C)=O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate?
The InChIKey is LSXRNQVNACXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5/c1-11-18(19(20(23)26)29-12(2)25)16-10-15(28-3)8-9-17(16)24(11)21(27)13-4-6-14(22)7-5-13/h4-10,19H,1-3H3,(H2,23,26).
What are the key properties of [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate?
[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate has a molecular weight of 414.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 57252388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).