methyl 4-(1H-indole-6-carbonylamino)benzoate

C17H14N2O3 — CID 46460139

IUPACmethyl 4-(1H-indole-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-17(21)12-4-6-14(7-5-12)19-16(20)13-3-2-11-8-9-18-15(11)10-13/h2-10,18H,1H3,(H,19,20)
InChIKeyQWNABPZYNPLKRJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds3

About methyl 4-(1H-indole-6-carbonylamino)benzoate

methyl 4-(1H-indole-6-carbonylamino)benzoate (PubChem CID 46460139) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-(1H-indole-6-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-indole-6-carbonylamino)benzoate
PubChem CID46460139
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 4-(1H-indole-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-17(21)12-4-6-14(7-5-12)19-16(20)13-3-2-11-8-9-18-15(11)10-13/h2-10,18H,1H3,(H,19,20)
InChIKeyQWNABPZYNPLKRJ-UHFFFAOYSA-N
XLogP3.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
ethanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 175802798
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
CID 167796814
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 6-[(4-aminosulfanylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 163649489
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indole-6-carbonylamino)benzoate?
The IUPAC name of methyl 4-(1H-indole-6-carbonylamino)benzoate (CID 46460139) is methyl 4-(1H-indole-6-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(1H-indole-6-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(1H-indole-6-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of methyl 4-(1H-indole-6-carbonylamino)benzoate?
The InChIKey is QWNABPZYNPLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-17(21)12-4-6-14(7-5-12)19-16(20)13-3-2-11-8-9-18-15(11)10-13/h2-10,18H,1H3,(H,19,20).
What are the key properties of methyl 4-(1H-indole-6-carbonylamino)benzoate?
methyl 4-(1H-indole-6-carbonylamino)benzoate has a molecular weight of 294.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-indole-6-carbonylamino)benzoate is sourced from PubChem (CID 46460139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).