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

C16H14ClNO4 — CID 2578232

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1O
InChIInChI=1S/C16H14ClNO4/c1-10-5-4-6-11(15(10)20)16(21)22-9-14(19)18-13-8-3-2-7-12(13)17/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyHIXBCTCBXGONDV-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.15
Rot. Bonds4

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

[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578232) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578232
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1O
InChIInChI=1S/C16H14ClNO4/c1-10-5-4-6-11(15(10)20)16(21)22-9-14(19)18-13-8-3-2-7-12(13)17/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyHIXBCTCBXGONDV-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-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2496453
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578045
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2531594
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578232) is [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1O.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is HIXBCTCBXGONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10-5-4-6-11(15(10)20)16(21)22-9-14(19)18-13-8-3-2-7-12(13)17/h2-8,20H,9H2,1H3,(H,18,19).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-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-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).