[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C16H14ClNO4 — CID 2611767

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C16H14ClNO4/c1-10-5-6-13(14(19)7-10)16(21)22-9-15(20)18-12-4-2-3-11(17)8-12/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyNNMWOFGMIDDTDY-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.15
Rot. Bonds4

About [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2611767) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2611767
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C16H14ClNO4/c1-10-5-6-13(14(19)7-10)16(21)22-9-15(20)18-12-4-2-3-11(17)8-12/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyNNMWOFGMIDDTDY-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

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567799
[2-(3-chloroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502493
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611502
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(4-nitroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568558
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
2-(2-amino-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 61313800

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2611767) is [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(O)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is NNMWOFGMIDDTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10-5-6-13(14(19)7-10)16(21)22-9-15(20)18-12-4-2-3-11(17)8-12/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate 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-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).