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

C16H14FNO3 — CID 2364838

IUPACbenzyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CC=C2F
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
MW287.28 g/mol
LogP2.70
Rot. Bonds6

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 287.28 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 Weight287.28 g/mol
Exact Mass287.10
IUPAC Namebenzyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CC=C2F
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
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
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Cyclohexyl (benzoylamino)acetate
CID 672410
2-fluorobenzyl N-(4-methoxybenzoyl)glycinate
CID 1242129
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
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 C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CC=C2F.
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 287.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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).