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

C20H19ClN2O3 — CID 113210529

IUPACmethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H19ClN2O3/c1-20(2,16-11-22-17-10-13(21)6-9-15(16)17)19(25)23-14-7-4-12(5-8-14)18(24)26-3/h4-11,22H,1-3H3,(H,23,25)
InChIKeyRJEIVMRPAODMGD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.52
Rot. Bonds4

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

methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (PubChem CID 113210529) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
PubChem CID113210529
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namemethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H19ClN2O3/c1-20(2,16-11-22-17-10-13(21)6-9-15(16)17)19(25)23-14-7-4-12(5-8-14)18(24)26-3/h4-11,22H,1-3H3,(H,23,25)
InChIKeyRJEIVMRPAODMGD-UHFFFAOYSA-N
XLogP4.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
CID 113210103
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
methyl 4-[[3-(5-chloro-2-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969092
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 113210482

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (CID 113210529) is methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The InChIKey is RJEIVMRPAODMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-20(2,16-11-22-17-10-13(21)6-9-15(16)17)19(25)23-14-7-4-12(5-8-14)18(24)26-3/h4-11,22H,1-3H3,(H,23,25).
What are the key properties of methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate has a molecular weight of 370.84 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 113210529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).