[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate

C17H14Cl3NO4 — CID 2614690

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3NO4/c1-24-15-5-4-11(18)6-13(15)17(23)25-9-16(22)21-8-10-2-3-12(19)7-14(10)20/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyAWLLTKFRNCFLMI-UHFFFAOYSA-N
MW402.66 g/mol
LogP4.13
Rot. Bonds6

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 2614690) has the molecular formula C17H14Cl3NO4 and a molecular weight of 402.66 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID2614690
Molecular FormulaC17H14Cl3NO4
Molecular Weight402.66 g/mol
Exact Mass401.00
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3NO4/c1-24-15-5-4-11(18)6-13(15)17(23)25-9-16(22)21-8-10-2-3-12(19)7-14(10)20/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyAWLLTKFRNCFLMI-UHFFFAOYSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[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-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate
CID 55465016
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2353384
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468025
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 2614690) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is AWLLTKFRNCFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO4/c1-24-15-5-4-11(18)6-13(15)17(23)25-9-16(22)21-8-10-2-3-12(19)7-14(10)20/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 402.66 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 2614690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).