[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

C18H18ClNO6 — CID 7875123

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c1
InChIInChI=1S/C18H18ClNO6/c1-23-10-4-5-16(24-2)11(6-10)15(21)9-26-18(22)12-7-13(19)14(20)8-17(12)25-3/h4-8H,9,20H2,1-3H3
InChIKeyDBTZNONAWCACOA-UHFFFAOYSA-N
MW379.80 g/mol
LogP2.99
Rot. Bonds7

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 7875123) has the molecular formula C18H18ClNO6 and a molecular weight of 379.80 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
PubChem CID7875123
Molecular FormulaC18H18ClNO6
Molecular Weight379.80 g/mol
Exact Mass379.08
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c1
InChIInChI=1S/C18H18ClNO6/c1-23-10-4-5-16(24-2)11(6-10)15(21)9-26-18(22)12-7-13(19)14(20)8-17(12)25-3/h4-8H,9,20H2,1-3H3
InChIKeyDBTZNONAWCACOA-UHFFFAOYSA-N
XLogP2.99
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(4-chlorophenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2584162
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 30788136
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578291
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 25379932
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (CID 7875123) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is COc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is DBTZNONAWCACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO6/c1-23-10-4-5-16(24-2)11(6-10)15(21)9-26-18(22)12-7-13(19)14(20)8-17(12)25-3/h4-8H,9,20H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 379.80 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 7875123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).