[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

C18H14ClN3O3 — CID 23999278

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3/c19-14-3-1-2-4-15(14)22-16(23)11-25-18(24)13-7-5-12(6-8-13)17-20-9-10-21-17/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyVTKQFHSSWBDYQP-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.53
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23999278) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23999278
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O3/c19-14-3-1-2-4-15(14)22-16(23)11-25-18(24)13-7-5-12(6-8-13)17-20-9-10-21-17/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyVTKQFHSSWBDYQP-UHFFFAOYSA-N
XLogP3.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23831428
[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23744377
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25039785
[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23915920
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-(2-chloroanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753167
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25036442
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999606
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (CID 23999278) is [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is O=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is VTKQFHSSWBDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-3-1-2-4-15(14)22-16(23)11-25-18(24)13-7-5-12(6-8-13)17-20-9-10-21-17/h1-10H,11H2,(H,20,21)(H,22,23).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 355.78 g/mol, XLogP of 3.53, 5 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] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23999278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).