methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate

C19H17ClN2O4 — CID 113209690

IUPACmethyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C19H17ClN2O4/c1-25-13-4-6-16-14(9-13)12(10-21-16)8-18(23)22-17-7-11(19(24)26-2)3-5-15(17)20/h3-7,9-10,21H,8H2,1-2H3,(H,22,23)
InChIKeyQKKDWIOPPLUYCE-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.80
Rot. Bonds5

About methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate

methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 113209690) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID113209690
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Namemethyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C19H17ClN2O4/c1-25-13-4-6-16-14(9-13)12(10-21-16)8-18(23)22-17-7-11(19(24)26-2)3-5-15(17)20/h3-7,9-10,21H,8H2,1-2H3,(H,22,23)
InChIKeyQKKDWIOPPLUYCE-UHFFFAOYSA-N
XLogP3.80
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
CID 29454881
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
methyl 3-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110424175
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
methyl 4-chloro-3-[[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212303
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide
CID 78872872
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate (CID 113209690) is methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is QKKDWIOPPLUYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-25-13-4-6-16-14(9-13)12(10-21-16)8-18(23)22-17-7-11(19(24)26-2)3-5-15(17)20/h3-7,9-10,21H,8H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 372.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 113209690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).