benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate

C17H15ClFNO3 — CID 7980436

IUPACbenzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
SMILESO=C(Cc1c(F)cccc1Cl)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H15ClFNO3/c18-14-7-4-8-15(19)13(14)9-16(21)20-10-17(22)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21)
InChIKeyDRUXYYPRVRDRBR-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.88
Rot. Bonds6

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

benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate (PubChem CID 7980436) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
PubChem CID7980436
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Namebenzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
SMILESO=C(Cc1c(F)cccc1Cl)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H15ClFNO3/c18-14-7-4-8-15(19)13(14)9-16(21)20-10-17(22)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21)
InChIKeyDRUXYYPRVRDRBR-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]acetate
CID 30287022
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16547944
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate (CID 7980436) is benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate is O=C(Cc1c(F)cccc1Cl)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
The InChIKey is DRUXYYPRVRDRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c18-14-7-4-8-15(19)13(14)9-16(21)20-10-17(22)23-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21).
What are the key properties of benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate?
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate has a molecular weight of 335.76 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 7980436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).