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

C20H17FN2O3 — CID 113211175

IUPACmethyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H17FN2O3/c1-26-18(24)14-4-2-3-5-16(14)23-19(25)20(8-9-20)15-11-22-17-10-12(21)6-7-13(15)17/h2-7,10-11,22H,8-9H2,1H3,(H,23,25)
InChIKeyGMRBBVOQEZPHKT-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.76
Rot. Bonds4

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

methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 113211175) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
PubChem CID113211175
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Namemethyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H17FN2O3/c1-26-18(24)14-4-2-3-5-16(14)23-19(25)20(8-9-20)15-11-22-17-10-12(21)6-7-13(15)17/h2-7,10-11,22H,8-9H2,1H3,(H,23,25)
InChIKeyGMRBBVOQEZPHKT-UHFFFAOYSA-N
XLogP3.76
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 113211110
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
CID 113085331
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (CID 113211175) is methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is GMRBBVOQEZPHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-26-18(24)14-4-2-3-5-16(14)23-19(25)20(8-9-20)15-11-22-17-10-12(21)6-7-13(15)17/h2-7,10-11,22H,8-9H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 352.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 113211175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).