ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate

C15H19F2NO3 — CID 61011840

IUPACethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO3/c1-3-18(10-15(20)21-4-2)14(19)8-6-11-5-7-12(16)13(17)9-11/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyOQQBBPDKGLGYCR-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.31
Rot. Bonds7

About ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate

ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate (PubChem CID 61011840) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
PubChem CID61011840
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Nameethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO3/c1-3-18(10-15(20)21-4-2)14(19)8-6-11-5-7-12(16)13(17)9-11/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyOQQBBPDKGLGYCR-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86929550
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
CID 75405903
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
CID 61012668
butyl 3-(3,4-difluorophenyl)propanoate
CID 112727101
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
ethyl 4-(4-chloro-3-fluorophenyl)butanoate
CID 159928363
2-[3-(3,4-difluorophenyl)propanoyl-prop-2-ynylamino]acetic acid
CID 79280272

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate (CID 61011840) is ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate?
The InChIKey is OQQBBPDKGLGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-3-18(10-15(20)21-4-2)14(19)8-6-11-5-7-12(16)13(17)9-11/h5,7,9H,3-4,6,8,10H2,1-2H3.
What are the key properties of ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate?
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate has a molecular weight of 299.32 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate is sourced from PubChem (CID 61011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).