(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate

C17H16FNO4 — CID 1242129

IUPAC(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-22-14-8-6-12(7-9-14)17(21)19-10-16(20)23-11-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyOTGHZUZTYKDTRC-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.31
Rot. Bonds6

About (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate

(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 1242129) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID1242129
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-22-14-8-6-12(7-9-14)17(21)19-10-16(20)23-11-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyOTGHZUZTYKDTRC-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate (CID 1242129) is (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is OTGHZUZTYKDTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-22-14-8-6-12(7-9-14)17(21)19-10-16(20)23-11-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
(2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 317.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 1242129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).