methyl 4-(1H-indole-3-carbonyl)benzoate

C17H13NO3 — CID 139561809

IUPACmethyl 4-(1H-indole-3-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-21-17(20)12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3
InChIKeyVIFRTGZYOIZEPJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.19
Rot. Bonds3

About methyl 4-(1H-indole-3-carbonyl)benzoate

methyl 4-(1H-indole-3-carbonyl)benzoate (PubChem CID 139561809) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 4-(1H-indole-3-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-indole-3-carbonyl)benzoate
PubChem CID139561809
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 4-(1H-indole-3-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-21-17(20)12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3
InChIKeyVIFRTGZYOIZEPJ-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indole-3-carbonyl)benzoate?
The IUPAC name of methyl 4-(1H-indole-3-carbonyl)benzoate (CID 139561809) is methyl 4-(1H-indole-3-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(1H-indole-3-carbonyl)benzoate?
The canonical SMILES for methyl 4-(1H-indole-3-carbonyl)benzoate is COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of methyl 4-(1H-indole-3-carbonyl)benzoate?
The InChIKey is VIFRTGZYOIZEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17(20)12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3.
What are the key properties of methyl 4-(1H-indole-3-carbonyl)benzoate?
methyl 4-(1H-indole-3-carbonyl)benzoate has a molecular weight of 279.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-indole-3-carbonyl)benzoate is sourced from PubChem (CID 139561809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).