2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid

C11H11ClN2O4 — CID 129229320

IUPAC2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
SMILES[H]/N=C(\C(=O)OC)c1cc(Cl)ccc1NCC(=O)O
InChIInChI=1S/C11H11ClN2O4/c1-18-11(17)10(13)7-4-6(12)2-3-8(7)14-5-9(15)16/h2-4,13-14H,5H2,1H3,(H,15,16)/b13-10-
InChIKeyUUBHZDOCAQVMBY-RAXLEYEMSA-N
MW270.67 g/mol
LogP1.38
Rot. Bonds5

About 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid

2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid (PubChem CID 129229320) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
PubChem CID129229320
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
SMILES[H]/N=C(\C(=O)OC)c1cc(Cl)ccc1NCC(=O)O
InChIInChI=1S/C11H11ClN2O4/c1-18-11(17)10(13)7-4-6(12)2-3-8(7)14-5-9(15)16/h2-4,13-14H,5H2,1H3,(H,15,16)/b13-10-
InChIKeyUUBHZDOCAQVMBY-RAXLEYEMSA-N
XLogP1.38
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
CID 169171167
methyl 2-(5-chloro-2-fluorophenyl)-2-oxoacetate
CID 116919136
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-(4-chloro-2-ethanimidoylanilino)ethanol
CID 144653845
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
methyl 5-chloro-2-(2,2-dimethoxyethylamino)benzoate
CID 63685157
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid (CID 129229320) is 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid is [H]/N=C(\C(=O)OC)c1cc(Cl)ccc1NCC(=O)O.
What is the InChIKey of 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid?
The InChIKey is UUBHZDOCAQVMBY-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-18-11(17)10(13)7-4-6(12)2-3-8(7)14-5-9(15)16/h2-4,13-14H,5H2,1H3,(H,15,16)/b13-10-.
What are the key properties of 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid?
2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid has a molecular weight of 270.67 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid is sourced from PubChem (CID 129229320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).