(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

C17H16FNO4 — CID 7899297

IUPAC(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO4/c1-22-15-4-2-3-13(9-15)17(21)19-10-16(20)23-11-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyGVCQDAAYRLFQAG-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.31
Rot. Bonds6

About (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7899297) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7899297
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO4/c1-22-15-4-2-3-13(9-15)17(21)19-10-16(20)23-11-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyGVCQDAAYRLFQAG-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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Related Compounds

benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882414
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
3-(4-fluorophenoxy)propyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899454
benzyl 2-benzamidoacetate;ethane
CID 142836612
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (CID 7899297) is (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is GVCQDAAYRLFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-22-15-4-2-3-13(9-15)17(21)19-10-16(20)23-11-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
(4-fluorophenyl)methyl 2-[(3-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 (4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).