[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate

C16H14Cl2N2O3 — CID 7509015

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H14Cl2N2O3/c1-9-2-3-11(18)7-14(9)20-15(21)8-23-16(22)12-5-4-10(17)6-13(12)19/h2-7H,8,19H2,1H3,(H,20,21)
InChIKeyFGKRNYVOYXRTLQ-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.68
Rot. Bonds4

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate (PubChem CID 7509015) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
PubChem CID7509015
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H14Cl2N2O3/c1-9-2-3-11(18)7-14(9)20-15(21)8-23-16(22)12-5-4-10(17)6-13(12)19/h2-7H,8,19H2,1H3,(H,20,21)
InChIKeyFGKRNYVOYXRTLQ-UHFFFAOYSA-N
XLogP3.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864829
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624004
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7508924
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324
[2-(2-bromoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509052
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864568
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2356570
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366056
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123082
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658226

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate (CID 7509015) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate is Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The InChIKey is FGKRNYVOYXRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9-2-3-11(18)7-14(9)20-15(21)8-23-16(22)12-5-4-10(17)6-13(12)19/h2-7H,8,19H2,1H3,(H,20,21).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate has a molecular weight of 353.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate is sourced from PubChem (CID 7509015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).