methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate

C23H18N2O4 — CID 71169305

IUPACmethyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)19-9-7-18(29-17-8-10-20-16(13-17)11-12-24-20)14-21(19)25-22(26)15-5-3-2-4-6-15/h2-14,24H,1H3,(H,25,26)
InChIKeyZJVUQAPLXPUKES-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.00
Rot. Bonds5

About methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate

methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate (PubChem CID 71169305) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate
PubChem CID71169305
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)19-9-7-18(29-17-8-10-20-16(13-17)11-12-24-20)14-21(19)25-22(26)15-5-3-2-4-6-15/h2-14,24H,1H3,(H,25,26)
InChIKeyZJVUQAPLXPUKES-UHFFFAOYSA-N
XLogP5.00
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-phenoxy-2-(propan-2-ylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 11495294
tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
CID 91609775
tert-butyl 2-benzamido-4-(3-nitrophenoxy)benzenecarboperoxoate
CID 174535053
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
2-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid
CID 155245846
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
methyl 4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxylate
CID 22936605

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate?
The IUPAC name of methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate (CID 71169305) is methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate.
What is the SMILES notation for methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate?
The canonical SMILES for methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate is COC(=O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate?
The InChIKey is ZJVUQAPLXPUKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-23(27)19-9-7-18(29-17-8-10-20-16(13-17)11-12-24-20)14-21(19)25-22(26)15-5-3-2-4-6-15/h2-14,24H,1H3,(H,25,26).
What are the key properties of methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate?
methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate has a molecular weight of 386.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate is sourced from PubChem (CID 71169305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).