[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C19H18FNO6 — CID 8521806

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C19H18FNO6/c1-25-14-5-3-4-13(8-14)19(24)21-10-18(23)27-11-16(22)12-6-7-17(26-2)15(20)9-12/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyMPASTMSANZDSEE-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.00
Rot. Bonds8

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 8521806) has the molecular formula C19H18FNO6 and a molecular weight of 375.35 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID8521806
Molecular FormulaC19H18FNO6
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C19H18FNO6/c1-25-14-5-3-4-13(8-14)19(24)21-10-18(23)27-11-16(22)12-6-7-17(26-2)15(20)9-12/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyMPASTMSANZDSEE-UHFFFAOYSA-N
XLogP2.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788019
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 8521806) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is MPASTMSANZDSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6/c1-25-14-5-3-4-13(8-14)19(24)21-10-18(23)27-11-16(22)12-6-7-17(26-2)15(20)9-12/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 375.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8521806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).