methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate

C14H20F2N2O3 — CID 79834893

IUPACmethyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate
SMILESCOCCN(C)CCNc1ccc(C(=O)OC)c(F)c1F
InChIInChI=1S/C14H20F2N2O3/c1-18(8-9-20-2)7-6-17-11-5-4-10(14(19)21-3)12(15)13(11)16/h4-5,17H,6-9H2,1-3H3
InChIKeyYVIALJLGEIIRMI-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.74
Rot. Bonds8

About methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate

methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate (PubChem CID 79834893) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate
PubChem CID79834893
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Namemethyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate
SMILESCOCCN(C)CCNc1ccc(C(=O)OC)c(F)c1F
InChIInChI=1S/C14H20F2N2O3/c1-18(8-9-20-2)7-6-17-11-5-4-10(14(19)21-3)12(15)13(11)16/h4-5,17H,6-9H2,1-3H3
InChIKeyYVIALJLGEIIRMI-UHFFFAOYSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate?
The IUPAC name of methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate (CID 79834893) is methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate.
What is the SMILES notation for methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate?
The canonical SMILES for methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate is COCCN(C)CCNc1ccc(C(=O)OC)c(F)c1F.
What is the InChIKey of methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate?
The InChIKey is YVIALJLGEIIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-18(8-9-20-2)7-6-17-11-5-4-10(14(19)21-3)12(15)13(11)16/h4-5,17H,6-9H2,1-3H3.
What are the key properties of methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate?
methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate has a molecular weight of 302.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate is sourced from PubChem (CID 79834893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).