methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate

C19H15ClN2O4 — CID 113213189

IUPACmethyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)c1
InChIInChI=1S/C19H15ClN2O4/c1-11(23)22-10-16(15-7-6-13(20)9-17(15)22)18(24)21-14-5-3-4-12(8-14)19(25)26-2/h3-10H,1-2H3,(H,21,24)
InChIKeyYKLUGGDOJIOLLY-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.99
Rot. Bonds3

About methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate

methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate (PubChem CID 113213189) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
PubChem CID113213189
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)c1
InChIInChI=1S/C19H15ClN2O4/c1-11(23)22-10-16(15-7-6-13(20)9-17(15)22)18(24)21-14-5-3-4-12(8-14)19(25)26-2/h3-10H,1-2H3,(H,21,24)
InChIKeyYKLUGGDOJIOLLY-UHFFFAOYSA-N
XLogP3.99
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-6-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113213173
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate (CID 113213189) is methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)c1.
What is the InChIKey of methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The InChIKey is YKLUGGDOJIOLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-11(23)22-10-16(15-7-6-13(20)9-17(15)22)18(24)21-14-5-3-4-12(8-14)19(25)26-2/h3-10H,1-2H3,(H,21,24).
What are the key properties of methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate has a molecular weight of 370.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113213189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).