methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate

C14H17F2NO4 — CID 78958878

IUPACmethyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO4/c1-20-8-7-17(6-5-13(18)21-2)14(19)11-9-10(15)3-4-12(11)16/h3-4,9H,5-8H2,1-2H3
InChIKeyCDPNAGFRJOFZTE-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.62
Rot. Bonds7

About methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78958878) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78958878
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Namemethyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO4/c1-20-8-7-17(6-5-13(18)21-2)14(19)11-9-10(15)3-4-12(11)16/h3-4,9H,5-8H2,1-2H3
InChIKeyCDPNAGFRJOFZTE-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
N-(3-amino-3-sulfanylidenepropyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63287621
methyl 3-[(2-bromo-4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103765245
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
methyl 3-[(2-bromo-5-fluorobenzoyl)-(2-methylpropyl)amino]propanoate
CID 60857728
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate (CID 78958878) is methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1cc(F)ccc1F.
What is the InChIKey of methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is CDPNAGFRJOFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-20-8-7-17(6-5-13(18)21-2)14(19)11-9-10(15)3-4-12(11)16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 301.29 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78958878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).