[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate

C18H15ClF3NO5 — CID 55465016

IUPAC[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15ClF3NO5/c1-26-15-7-6-12(19)8-13(15)17(25)27-10-16(24)23-9-11-4-2-3-5-14(11)28-18(20,21)22/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyVLWZNKFGQAQPOE-UHFFFAOYSA-N
MW417.77 g/mol
LogP3.72
Rot. Bonds7

About [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate

[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate (PubChem CID 55465016) has the molecular formula C18H15ClF3NO5 and a molecular weight of 417.77 g/mol. Its IUPAC name is [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate
PubChem CID55465016
Molecular FormulaC18H15ClF3NO5
Molecular Weight417.77 g/mol
Exact Mass417.06
IUPAC Name[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15ClF3NO5/c1-26-15-7-6-12(19)8-13(15)17(25)27-10-16(24)23-9-11-4-2-3-5-14(11)28-18(20,21)22/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyVLWZNKFGQAQPOE-UHFFFAOYSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 50929762
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 2-amino-3-methylbenzoate
CID 41461937
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468025
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2353384
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 2338048
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-chloro-2-methoxybenzoate
CID 7629243

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate (CID 55465016) is [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is VLWZNKFGQAQPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO5/c1-26-15-7-6-12(19)8-13(15)17(25)27-10-16(24)23-9-11-4-2-3-5-14(11)28-18(20,21)22/h2-8H,9-10H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate?
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 417.77 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 55465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).