methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate

C19H18F2N2O3 — CID 170883448

IUPACmethyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1c(Oc2ccc(F)cc2F)n(C)c2ccccc12
InChIInChI=1S/C19H18F2N2O3/c1-23-16-6-4-3-5-12(16)13(10-15(22)19(24)25-2)18(23)26-17-8-7-11(20)9-14(17)21/h3-9,15H,10,22H2,1-2H3
InChIKeyCHDYQPYPQGCUMH-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate

methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate (PubChem CID 170883448) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
PubChem CID170883448
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1c(Oc2ccc(F)cc2F)n(C)c2ccccc12
InChIInChI=1S/C19H18F2N2O3/c1-23-16-6-4-3-5-12(16)13(10-15(22)19(24)25-2)18(23)26-17-8-7-11(20)9-14(17)21/h3-9,15H,10,22H2,1-2H3
InChIKeyCHDYQPYPQGCUMH-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
CID 170892609
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892608
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]prop-2-enoic acid
CID 170872297
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]-2-methylprop-2-enoic acid
CID 170873356
methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
CID 170884498
methyl 2-amino-3-(2-fluoro-6-phenoxyphenyl)propanoate
CID 170883557
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
3-[2-(4-fluorophenoxy)-1-methylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880497
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate (CID 170883448) is methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate is COC(=O)C(N)Cc1c(Oc2ccc(F)cc2F)n(C)c2ccccc12.
What is the InChIKey of methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate?
The InChIKey is CHDYQPYPQGCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-23-16-6-4-3-5-12(16)13(10-15(22)19(24)25-2)18(23)26-17-8-7-11(20)9-14(17)21/h3-9,15H,10,22H2,1-2H3.
What are the key properties of methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate?
methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate has a molecular weight of 360.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate is sourced from PubChem (CID 170883448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).