benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate

C16H13ClFNO3 — CID 27711239

IUPACbenzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13ClFNO3/c17-14-8-12(18)6-7-13(14)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)
InChIKeyMPCFOEQEDWUPTO-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.95
Rot. Bonds5

About benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate

benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate (PubChem CID 27711239) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
PubChem CID27711239
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Namebenzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13ClFNO3/c17-14-8-12(18)6-7-13(14)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)
InChIKeyMPCFOEQEDWUPTO-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 ≤ 500321.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
benzyl 2-benzamidoacetate;ethane
CID 142836612
2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497973
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate (CID 27711239) is benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(F)cc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
The InChIKey is MPCFOEQEDWUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-14-8-12(18)6-7-13(14)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21).
What are the key properties of benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate?
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate has a molecular weight of 321.74 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-4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 27711239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).