2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate

C12H14FNO3 — CID 151755820

IUPAC2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-9(15)17-6-5-14-12(16)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16)
InChIKeyRPMYOQQQWBOHOW-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.05
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate

2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate (PubChem CID 151755820) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
PubChem CID151755820
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-9(15)17-6-5-14-12(16)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16)
InChIKeyRPMYOQQQWBOHOW-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092010
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate?
The IUPAC name of 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate (CID 151755820) is 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate?
The canonical SMILES for 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate is CC(=O)OCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate?
The InChIKey is RPMYOQQQWBOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-9(15)17-6-5-14-12(16)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate?
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate has a molecular weight of 239.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate is sourced from PubChem (CID 151755820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).