2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid

C11H10ClNO5 — CID 13271051

IUPAC2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid
SMILESCOCC(=O)Nc1c(Cl)cccc1C(=O)C(=O)O
InChIInChI=1S/C11H10ClNO5/c1-18-5-8(14)13-9-6(10(15)11(16)17)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyJGXPALWXSWNXCX-UHFFFAOYSA-N
MW271.66 g/mol
LogP1.19
Rot. Bonds5

About 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid

2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid (PubChem CID 13271051) has the molecular formula C11H10ClNO5 and a molecular weight of 271.66 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid
PubChem CID13271051
Molecular FormulaC11H10ClNO5
Molecular Weight271.66 g/mol
Exact Mass271.02
IUPAC Name2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid
SMILESCOCC(=O)Nc1c(Cl)cccc1C(=O)C(=O)O
InChIInChI=1S/C11H10ClNO5/c1-18-5-8(14)13-9-6(10(15)11(16)17)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyJGXPALWXSWNXCX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 107047930
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
3-chloro-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 107046941
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid (CID 13271051) is 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid is COCC(=O)Nc1c(Cl)cccc1C(=O)C(=O)O.
What is the InChIKey of 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid?
The InChIKey is JGXPALWXSWNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5/c1-18-5-8(14)13-9-6(10(15)11(16)17)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid?
2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid has a molecular weight of 271.66 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid is sourced from PubChem (CID 13271051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).