2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid

C15H12ClNO4 — CID 115955933

IUPAC2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
SMILESO=C(COc1c(Cl)cccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyCNMPOABFZBTPJR-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid

2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid (PubChem CID 115955933) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
PubChem CID115955933
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
SMILESO=C(COc1c(Cl)cccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyCNMPOABFZBTPJR-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
CID 78975129
(2-anilino-2-oxoethyl) 2-amino-3-chlorobenzoate
CID 17414413
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 45419231
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid?
The IUPAC name of 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid (CID 115955933) is 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid is O=C(COc1c(Cl)cccc1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid?
The InChIKey is CNMPOABFZBTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid?
2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid is sourced from PubChem (CID 115955933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).