[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate

C16H14ClNO4 — CID 7485087

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C16H14ClNO4/c1-10-12(17)6-4-7-13(10)18-15(20)9-22-16(21)11-5-2-3-8-14(11)19/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyNUBHMDVKGYHAPT-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.15
Rot. Bonds4

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 7485087) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID7485087
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C16H14ClNO4/c1-10-12(17)6-4-7-13(10)18-15(20)9-22-16(21)11-5-2-3-8-14(11)19/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyNUBHMDVKGYHAPT-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536642
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812297
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855049
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610007
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911694
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570624

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate (CID 7485087) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate is Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1O.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is NUBHMDVKGYHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10-12(17)6-4-7-13(10)18-15(20)9-22-16(21)11-5-2-3-8-14(11)19/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 319.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7485087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).