methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate

C19H15ClN2O4 — CID 113213188

IUPACmethyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O4/c1-11(23)22-10-15(13-8-7-12(20)9-17(13)22)18(24)21-16-6-4-3-5-14(16)19(25)26-2/h3-10H,1-2H3,(H,21,24)
InChIKeyZSGFBPSWMRSBRS-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.99
Rot. Bonds3

About methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate

methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate (PubChem CID 113213188) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
PubChem CID113213188
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O4/c1-11(23)22-10-15(13-8-7-12(20)9-17(13)22)18(24)21-16-6-4-3-5-14(16)19(25)26-2/h3-10H,1-2H3,(H,21,24)
InChIKeyZSGFBPSWMRSBRS-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

1-acetyl-6-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113213173
methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213189
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113212636
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate (CID 113213188) is methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cn(C(C)=O)c2cc(Cl)ccc12.
What is the InChIKey of methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
The InChIKey is ZSGFBPSWMRSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-11(23)22-10-15(13-8-7-12(20)9-17(13)22)18(24)21-16-6-4-3-5-14(16)19(25)26-2/h3-10H,1-2H3,(H,21,24).
What are the key properties of methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate?
methyl 2-[(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 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113213188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).