methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate

C18H14ClFN2O3 — CID 172548040

IUPACmethyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-25-18(24)14-5-3-12(8-15(14)19)22-17(23)6-10-9-21-16-7-11(20)2-4-13(10)16/h2-5,7-9,21H,6H2,1H3,(H,22,23)
InChIKeyJBINMUXBJFMIQE-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.93
Rot. Bonds4

About methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate

methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 172548040) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID172548040
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Namemethyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-25-18(24)14-5-3-12(8-15(14)19)22-17(23)6-10-9-21-16-7-11(20)2-4-13(10)16/h2-5,7-9,21H,6H2,1H3,(H,22,23)
InChIKeyJBINMUXBJFMIQE-UHFFFAOYSA-N
XLogP3.93
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
N-(4-ethoxy-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86877960
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate (CID 172548040) is methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is JBINMUXBJFMIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-25-18(24)14-5-3-12(8-15(14)19)22-17(23)6-10-9-21-16-7-11(20)2-4-13(10)16/h2-5,7-9,21H,6H2,1H3,(H,22,23).
What are the key properties of methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 360.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 172548040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).