methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate

C17H14N2O4 — CID 171771337

IUPACmethyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ccc3[nH]ccc3c2C(N)=O)c1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)10-3-2-4-11(9-10)23-14-6-5-13-12(7-8-19-13)15(14)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyLTCBSSRQXVXBKL-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.85
Rot. Bonds4

About methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate

methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate (PubChem CID 171771337) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate
PubChem CID171771337
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ccc3[nH]ccc3c2C(N)=O)c1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)10-3-2-4-11(9-10)23-14-6-5-13-12(7-8-19-13)15(14)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyLTCBSSRQXVXBKL-UHFFFAOYSA-N
XLogP2.85
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167505464
methyl 5-[3-(5-benzoyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indole-4-carboxylate
CID 167504668
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
methyl 5-[3-[5-[hydroxy(phenyl)methyl]-1H-imidazol-2-yl]phenoxy]-1H-indole-4-carboxylate
CID 167504546
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
methyl 3-[(1-oxo-2H-isoquinolin-6-yl)oxy]benzoate
CID 142426828
CID 59716384
CID 59716384
methyl 5-bromo-1H-indole-4-carboxylate
CID 71045794
methyl 3-(4-ethynylphenoxy)benzoate
CID 154815146
methyl 3-(4-methylsulfonyl-2-nitrophenoxy)benzoate
CID 7963220
methyl 3-(4-methyl-2-nitrophenoxy)benzoate
CID 133413619

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate?
The IUPAC name of methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate (CID 171771337) is methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate.
What is the SMILES notation for methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate?
The canonical SMILES for methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate is COC(=O)c1cccc(Oc2ccc3[nH]ccc3c2C(N)=O)c1.
What is the InChIKey of methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate?
The InChIKey is LTCBSSRQXVXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-17(21)10-3-2-4-11(9-10)23-14-6-5-13-12(7-8-19-13)15(14)16(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate?
methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate has a molecular weight of 310.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-carbamoyl-1H-indol-5-yl)oxy]benzoate is sourced from PubChem (CID 171771337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).