(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

C18H17FN2O4 — CID 2221739

IUPAC(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1cccc(F)c1
InChIInChI=1S/C18H17FN2O4/c19-15-8-4-5-13(9-15)12-25-17(23)11-20-16(22)10-21-18(24)14-6-2-1-3-7-14/h1-9H,10-12H2,(H,20,22)(H,21,24)
InChIKeyMYGJELJYRIHCNK-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.42
Rot. Bonds7

About (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (PubChem CID 2221739) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
PubChem CID2221739
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1cccc(F)c1
InChIInChI=1S/C18H17FN2O4/c19-15-8-4-5-13(9-15)12-25-17(23)11-20-16(22)10-21-18(24)14-6-2-1-3-7-14/h1-9H,10-12H2,(H,20,22)(H,21,24)
InChIKeyMYGJELJYRIHCNK-UHFFFAOYSA-N
XLogP1.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 3496374
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
CID 31949955
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
benzyl 2-benzamidoacetate;ethane
CID 142836612
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
(3-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate
CID 5161518
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (CID 2221739) is (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The InChIKey is MYGJELJYRIHCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-15-8-4-5-13(9-15)12-25-17(23)11-20-16(22)10-21-18(24)14-6-2-1-3-7-14/h1-9H,10-12H2,(H,20,22)(H,21,24).
What are the key properties of (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate has a molecular weight of 344.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is sourced from PubChem (CID 2221739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).