[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C16H13Cl3N2O3 — CID 7864829

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C16H13Cl3N2O3/c1-8-2-3-9(17)6-13(8)21-14(22)7-24-16(23)11-4-10(18)5-12(19)15(11)20/h2-6H,7,20H2,1H3,(H,21,22)
InChIKeyFUKIUSWEOJKNBM-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.33
Rot. Bonds4

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 7864829) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID7864829
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C16H13Cl3N2O3/c1-8-2-3-9(17)6-13(8)21-14(22)7-24-16(23)11-4-10(18)5-12(19)15(11)20/h2-6H,7,20H2,1H3,(H,21,22)
InChIKeyFUKIUSWEOJKNBM-UHFFFAOYSA-N
XLogP4.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.33
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-4-chlorobenzoate
CID 7509015
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519875
[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] 2-bromobenzoate
CID 2624004
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123082
[2-(4-acetylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620514
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658226
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620423
methyl 3-[[2-(5-chloro-2-methoxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7291388

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 7864829) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is FUKIUSWEOJKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c1-8-2-3-9(17)6-13(8)21-14(22)7-24-16(23)11-4-10(18)5-12(19)15(11)20/h2-6H,7,20H2,1H3,(H,21,22).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 387.65 g/mol, XLogP of 4.33, 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-3,5-dichlorobenzoate is sourced from PubChem (CID 7864829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).