2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid

C11H10ClNO5 — CID 121376995

IUPAC2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid
SMILESCC(=O)Nc1c(OCC=O)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H10ClNO5/c1-6(15)13-10-8(11(16)17)4-7(12)5-9(10)18-3-2-14/h2,4-5H,3H2,1H3,(H,13,15)(H,16,17)
InChIKeyMTDSIVQIFPDCAH-UHFFFAOYSA-N
MW271.66 g/mol
LogP1.57
Rot. Bonds5

About 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid

2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid (PubChem CID 121376995) has the molecular formula C11H10ClNO5 and a molecular weight of 271.66 g/mol. Its IUPAC name is 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid
PubChem CID121376995
Molecular FormulaC11H10ClNO5
Molecular Weight271.66 g/mol
Exact Mass271.02
IUPAC Name2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid
SMILESCC(=O)Nc1c(OCC=O)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H10ClNO5/c1-6(15)13-10-8(11(16)17)4-7(12)5-9(10)18-3-2-14/h2,4-5H,3H2,1H3,(H,13,15)(H,16,17)
InChIKeyMTDSIVQIFPDCAH-UHFFFAOYSA-N
XLogP1.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-5-chloro-3-ethynylbenzoic acid
CID 167729681
2-acetamido-5-chloro-3-cyclohexylbenzoic acid;hydrochloride
CID 121376990
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 60676595
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
CID 60676432
2-acetyl-4-chloro-6-methoxybenzaldehyde
CID 171002394
2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 43360198
5-chloro-3-methoxy-2-(3-methylbutoxy)benzoic acid
CID 113438800

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid?
The IUPAC name of 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid (CID 121376995) is 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid is CC(=O)Nc1c(OCC=O)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid?
The InChIKey is MTDSIVQIFPDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5/c1-6(15)13-10-8(11(16)17)4-7(12)5-9(10)18-3-2-14/h2,4-5H,3H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid?
2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid has a molecular weight of 271.66 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-chloro-3-(2-oxoethoxy)benzoic acid is sourced from PubChem (CID 121376995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).