4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide

C18H18ClFN2O5 — CID 18145594

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2F)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O5/c1-25-15-9-11(8-12(19)17(15)27-10-16(21)23)18(24)22-6-7-26-14-5-3-2-4-13(14)20/h2-5,8-9H,6-7,10H2,1H3,(H2,21,23)(H,22,24)
InChIKeySTBMYSIVIYKNPZ-UHFFFAOYSA-N
MW396.80 g/mol
LogP2.16
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide (PubChem CID 18145594) has the molecular formula C18H18ClFN2O5 and a molecular weight of 396.80 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide
PubChem CID18145594
Molecular FormulaC18H18ClFN2O5
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2F)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H18ClFN2O5/c1-25-15-9-11(8-12(19)17(15)27-10-16(21)23)18(24)22-6-7-26-14-5-3-2-4-13(14)20/h2-5,8-9H,6-7,10H2,1H3,(H2,21,23)(H,22,24)
InChIKeySTBMYSIVIYKNPZ-UHFFFAOYSA-N
XLogP2.16
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide (CID 18145594) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide is COc1cc(C(=O)NCCOc2ccccc2F)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide?
The InChIKey is STBMYSIVIYKNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5/c1-25-15-9-11(8-12(19)17(15)27-10-16(21)23)18(24)22-6-7-26-14-5-3-2-4-13(14)20/h2-5,8-9H,6-7,10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide has a molecular weight of 396.80 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2-fluorophenoxy)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 18145594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).