benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate

C18H18FNO3 — CID 31949955

IUPACbenzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
SMILESO=C(CCc1cccc(F)c1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H18FNO3/c19-16-8-4-7-14(11-16)9-10-17(21)20-12-18(22)23-13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,21)
InChIKeyXUDIQDMNEGXVHJ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.62
Rot. Bonds7

About benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate

benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate (PubChem CID 31949955) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
PubChem CID31949955
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namebenzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
SMILESO=C(CCc1cccc(F)c1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H18FNO3/c19-16-8-4-7-14(11-16)9-10-17(21)20-12-18(22)23-13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,21)
InChIKeyXUDIQDMNEGXVHJ-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
tert-butyl N-[2-[2-[3-(3-fluorophenyl)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108916262
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate?
The IUPAC name of benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate (CID 31949955) is benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate.
What is the SMILES notation for benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate?
The canonical SMILES for benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate is O=C(CCc1cccc(F)c1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate?
The InChIKey is XUDIQDMNEGXVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-8-4-7-14(11-16)9-10-17(21)20-12-18(22)23-13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,21).
What are the key properties of benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate?
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate has a molecular weight of 315.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate is sourced from PubChem (CID 31949955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).