[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate

C19H18ClFN2O5 — CID 9318757

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18ClFN2O5/c1-27-9-8-22-17(24)11-28-19(26)15-7-4-13(20)10-16(15)23-18(25)12-2-5-14(21)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyPABYEVOKBHUPEZ-UHFFFAOYSA-N
MW408.81 g/mol
LogP2.65
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate (PubChem CID 9318757) has the molecular formula C19H18ClFN2O5 and a molecular weight of 408.81 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
PubChem CID9318757
Molecular FormulaC19H18ClFN2O5
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18ClFN2O5/c1-27-9-8-22-17(24)11-28-19(26)15-7-4-13(20)10-16(15)23-18(25)12-2-5-14(21)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyPABYEVOKBHUPEZ-UHFFFAOYSA-N
XLogP2.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620148
(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318888
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-dimethylbenzamide
CID 175979145

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate (CID 9318757) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate is COCCNC(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
The InChIKey is PABYEVOKBHUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O5/c1-27-9-8-22-17(24)11-28-19(26)15-7-4-13(20)10-16(15)23-18(25)12-2-5-14(21)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate has a molecular weight of 408.81 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 9318757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).