methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate

C17H12Cl2N2O3 — CID 113207244

IUPACmethyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-17(23)9-2-4-12(19)14(7-9)21-16(22)15-8-10-6-11(18)3-5-13(10)20-15/h2-8,20H,1H3,(H,21,22)
InChIKeyIFIOJJVNOFRQLI-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.51
Rot. Bonds3

About methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate

methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 113207244) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
PubChem CID113207244
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Namemethyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-17(23)9-2-4-12(19)14(7-9)21-16(22)15-8-10-6-11(18)3-5-13(10)20-15/h2-8,20H,1H3,(H,21,22)
InChIKeyIFIOJJVNOFRQLI-UHFFFAOYSA-N
XLogP4.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate (CID 113207244) is methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is IFIOJJVNOFRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-17(23)9-2-4-12(19)14(7-9)21-16(22)15-8-10-6-11(18)3-5-13(10)20-15/h2-8,20H,1H3,(H,21,22).
What are the key properties of methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 363.20 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 113207244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).