[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate

C15H12ClNO4 — CID 2628238

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(19)9-21-15(20)10-4-3-5-11(18)8-10/h1-8,18H,9H2,(H,17,19)
InChIKeyFBVVBGHEMMDXIV-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.84
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628238) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628238
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(COC(=O)c1cccc(O)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(19)9-21-15(20)10-4-3-5-11(18)8-10/h1-8,18H,9H2,(H,17,19)
InChIKeyFBVVBGHEMMDXIV-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4802995
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790269
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789788
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628190
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 725041

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628238) is [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate is O=C(COC(=O)c1cccc(O)c1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is FBVVBGHEMMDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(19)9-21-15(20)10-4-3-5-11(18)8-10/h1-8,18H,9H2,(H,17,19).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 305.72 g/mol, XLogP of 2.84, 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] 3-hydroxybenzoate is sourced from PubChem (CID 2628238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).