3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate

C15H11ClNO4- — CID 2229520

IUPAC3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COc1cccc(C(=O)[O-])c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(18)9-21-11-5-3-4-10(8-11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyWDFUZXZNKVOSIJ-UHFFFAOYSA-M
MW304.71 g/mol
LogP1.72
Rot. Bonds5

About 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate

3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate (PubChem CID 2229520) has the molecular formula C15H11ClNO4- and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
PubChem CID2229520
Molecular FormulaC15H11ClNO4-
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COc1cccc(C(=O)[O-])c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(18)9-21-11-5-3-4-10(8-11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyWDFUZXZNKVOSIJ-UHFFFAOYSA-M
XLogP1.72
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
N-[(E)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126265913

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate (CID 2229520) is 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate is O=C(COc1cccc(C(=O)[O-])c1)Nc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate?
The InChIKey is WDFUZXZNKVOSIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(18)9-21-11-5-3-4-10(8-11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/p-1.
What are the key properties of 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate?
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate has a molecular weight of 304.71 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 2229520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).