[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate

C18H16F2N2O5 — CID 30312687

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2N2O5/c1-26-13-5-3-12(4-6-13)22-16(23)10-27-17(24)9-21-18(25)14-7-2-11(19)8-15(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyMLQRTMPEFAJPGX-UHFFFAOYSA-N
MW378.33 g/mol
LogP1.89
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate (PubChem CID 30312687) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
PubChem CID30312687
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2N2O5/c1-26-13-5-3-12(4-6-13)22-16(23)10-27-17(24)9-21-18(25)14-7-2-11(19)8-15(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyMLQRTMPEFAJPGX-UHFFFAOYSA-N
XLogP1.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30315978
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
[2-(4-methoxyanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925007
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30314995
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate (CID 30312687) is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate is COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The InChIKey is MLQRTMPEFAJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5/c1-26-13-5-3-12(4-6-13)22-16(23)10-27-17(24)9-21-18(25)14-7-2-11(19)8-15(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate has a molecular weight of 378.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 30312687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).