benzyl 2-[(2-fluorobenzoyl)amino]acetate

C16H14FNO3 — CID 2364838

IUPACbenzyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C16H14FNO3/c17-14-9-5-4-8-13(14)16(20)18-10-15(19)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeySYDXGRYXGNJUKU-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.30
Rot. Bonds5

About benzyl 2-[(2-fluorobenzoyl)amino]acetate

benzyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2364838) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is benzyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2364838
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namebenzyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C16H14FNO3/c17-14-9-5-4-8-13(14)16(20)18-10-15(19)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeySYDXGRYXGNJUKU-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluorobenzyl N-(4-methoxybenzoyl)glycinate
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2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
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benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
2-(4-Fluorophenyl)-2-oxoethyl [(phenylacetyl)amino]acetate
CID 1615713
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
N-benzyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4875432
(S,E)-3-((S)-1-Benzyloxycarbonyl-2-phenylethylcarbamoyl)-acrylic acid ethyl ester
CID 10619827
(2-Chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 954137

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-fluorobenzoyl)amino]acetate (CID 2364838) is benzyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is SYDXGRYXGNJUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-14-9-5-4-8-13(14)16(20)18-10-15(19)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20).
What are the key properties of benzyl 2-[(2-fluorobenzoyl)amino]acetate?
benzyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 287.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2364838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).