methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate

C19H19ClN2O2 — CID 52951231

IUPACmethyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-24-19(23)11-21-10-15-13-22(18-5-3-2-4-17(15)18)12-14-6-8-16(20)9-7-14/h2-9,13,21H,10-12H2,1H3
InChIKeyRRIUPMQUTAUSKI-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.61
Rot. Bonds6

About methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate

methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate (PubChem CID 52951231) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate
PubChem CID52951231
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Namemethyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-24-19(23)11-21-10-15-13-22(18-5-3-2-4-17(15)18)12-14-6-8-16(20)9-7-14/h2-9,13,21H,10-12H2,1H3
InChIKeyRRIUPMQUTAUSKI-UHFFFAOYSA-N
XLogP3.61
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate (CID 52951231) is methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate is COC(=O)CNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate?
The InChIKey is RRIUPMQUTAUSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-24-19(23)11-21-10-15-13-22(18-5-3-2-4-17(15)18)12-14-6-8-16(20)9-7-14/h2-9,13,21H,10-12H2,1H3.
What are the key properties of methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate?
methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate has a molecular weight of 342.83 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate is sourced from PubChem (CID 52951231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).