benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate

C16H13ClFNO3 — CID 36949186

IUPACbenzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13ClFNO3/c17-12-7-4-8-13(18)15(12)16(21)19-9-14(20)22-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21)
InChIKeyLNBYVCFDQHUADF-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.95
Rot. Bonds5

About benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate

benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate (PubChem CID 36949186) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.73 g/mol. Its IUPAC name is benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
PubChem CID36949186
Molecular FormulaC16H13ClFNO3
Molecular Weight321.73 g/mol
Exact Mass321.06
IUPAC Namebenzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13ClFNO3/c17-12-7-4-8-13(18)15(12)16(21)19-9-14(20)22-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21)
InChIKeyLNBYVCFDQHUADF-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-benzamidoacetate;ethane
CID 142836612
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate (CID 36949186) is benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1c(F)cccc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
The InChIKey is LNBYVCFDQHUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-12-7-4-8-13(18)15(12)16(21)19-9-14(20)22-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21).
What are the key properties of benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate?
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate has a molecular weight of 321.73 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 36949186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).