phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate

C18H13ClN2O4 — CID 10043843

IUPACphenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESO=C(CNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)Oc1ccccc1
InChIInChI=1S/C18H13ClN2O4/c19-11-6-7-15-13(8-11)14(9-20-15)17(23)18(24)21-10-16(22)25-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,21,24)
InChIKeySMLBQOXSUNRQOB-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.73
Rot. Bonds5

About phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate

phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate (PubChem CID 10043843) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate.

Molecular Properties

Compound Namephenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
PubChem CID10043843
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Namephenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESO=C(CNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)Oc1ccccc1
InChIInChI=1S/C18H13ClN2O4/c19-11-6-7-15-13(8-11)14(9-20-15)17(23)18(24)21-10-16(22)25-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,21,24)
InChIKeySMLBQOXSUNRQOB-UHFFFAOYSA-N
XLogP2.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
ethyl (2R)-2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541510
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The IUPAC name of phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate (CID 10043843) is phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate.
What is the SMILES notation for phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The canonical SMILES for phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate is O=C(CNC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)Oc1ccccc1.
What is the InChIKey of phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The InChIKey is SMLBQOXSUNRQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-11-6-7-15-13(8-11)14(9-20-15)17(23)18(24)21-10-16(22)25-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,21,24).
What are the key properties of phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate has a molecular weight of 356.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate is sourced from PubChem (CID 10043843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).