(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate

C19H18FNO5 — CID 2121117

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO5/c1-12(22)14-5-8-17(25-2)15(9-14)11-26-18(23)10-21-19(24)13-3-6-16(20)7-4-13/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyUXUHQAOTOGRSCW-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.51
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 2121117) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID2121117
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO5/c1-12(22)14-5-8-17(25-2)15(9-14)11-26-18(23)10-21-19(24)13-3-6-16(20)7-4-13/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyUXUHQAOTOGRSCW-UHFFFAOYSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491975
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 29191315
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
CID 8860206
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate (CID 2121117) is (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate is COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is UXUHQAOTOGRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-12(22)14-5-8-17(25-2)15(9-14)11-26-18(23)10-21-19(24)13-3-6-16(20)7-4-13/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 359.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2121117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).