methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate

C17H13ClN2O3 — CID 113207589

IUPACmethyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)12-4-2-3-5-13(12)20-16(21)15-8-10-6-7-11(18)9-14(10)19-15/h2-9,19H,1H3,(H,20,21)
InChIKeyXYHXKINTTTYOOW-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.86
Rot. Bonds3

About methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate

methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 113207589) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
PubChem CID113207589
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Namemethyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)12-4-2-3-5-13(12)20-16(21)15-8-10-6-7-11(18)9-14(10)19-15/h2-9,19H,1H3,(H,20,21)
InChIKeyXYHXKINTTTYOOW-UHFFFAOYSA-N
XLogP3.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 39499154
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(5-nitro-1H-indole-2-carbonyl)amino]benzoate
CID 162668769
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate (CID 113207589) is methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is XYHXKINTTTYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-17(22)12-4-2-3-5-13(12)20-16(21)15-8-10-6-7-11(18)9-14(10)19-15/h2-9,19H,1H3,(H,20,21).
What are the key properties of methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate?
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 328.76 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 113207589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).