2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid

C15H12ClNO4 — CID 78975129

IUPAC2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
SMILESO=C(COc1cccc(Cl)c1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-11-7-4-8-12(14(11)15(19)20)21-9-13(18)17-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyYKCSLJRFPBWCIT-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid

2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid (PubChem CID 78975129) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
PubChem CID78975129
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
SMILESO=C(COc1cccc(Cl)c1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-11-7-4-8-12(14(11)15(19)20)21-9-13(18)17-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyYKCSLJRFPBWCIT-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-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
CID 115955933
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222861
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-(2,4-dichloro-3-methylphenoxy)-N-phenylacetamide
CID 15917895
(2-anilino-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663098
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid?
The IUPAC name of 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid (CID 78975129) is 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid is O=C(COc1cccc(Cl)c1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid?
The InChIKey is YKCSLJRFPBWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-7-4-8-12(14(11)15(19)20)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)-6-chlorobenzoic acid?
2-(2-anilino-2-oxoethoxy)-6-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)-6-chlorobenzoic acid is sourced from PubChem (CID 78975129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).