[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C18H17ClFNO4 — CID 2490465

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c1-24-13-7-5-12(6-8-13)10-21-17(22)11-25-18(23)9-14-15(19)3-2-4-16(14)20/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyMBVSBWMQHUTEAP-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.89
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2490465) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2490465
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c1-24-13-7-5-12(6-8-13)10-21-17(22)11-25-18(23)9-14-15(19)3-2-4-16(14)20/h2-8H,9-11H2,1H3,(H,21,22)
InChIKeyMBVSBWMQHUTEAP-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9202810
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2243188
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 40747500

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2490465) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is COc1ccc(CNC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is MBVSBWMQHUTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4/c1-24-13-7-5-12(6-8-13)10-21-17(22)11-25-18(23)9-14-15(19)3-2-4-16(14)20/h2-8H,9-11H2,1H3,(H,21,22).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 365.79 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2490465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).