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

C20H17ClN2O3 — CID 113211013

IUPACmethyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H17ClN2O3/c1-26-18(24)13-4-2-3-5-17(13)23-19(25)20(8-9-20)15-11-22-16-7-6-12(21)10-14(15)16/h2-7,10-11,22H,8-9H2,1H3,(H,23,25)
InChIKeyBGRXKZQCGVGIHR-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.28
Rot. Bonds4

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

methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 113211013) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
PubChem CID113211013
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Namemethyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H17ClN2O3/c1-26-18(24)13-4-2-3-5-17(13)23-19(25)20(8-9-20)15-11-22-16-7-6-12(21)10-14(15)16/h2-7,10-11,22H,8-9H2,1H3,(H,23,25)
InChIKeyBGRXKZQCGVGIHR-UHFFFAOYSA-N
XLogP4.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (CID 113211013) is methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is BGRXKZQCGVGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-26-18(24)13-4-2-3-5-17(13)23-19(25)20(8-9-20)15-11-22-16-7-6-12(21)10-14(15)16/h2-7,10-11,22H,8-9H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 368.82 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 113211013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).