2-(2-chloro-6-fluoro-N-formylanilino)acetic acid

C9H7ClFNO3 — CID 20848546

IUPAC2-(2-chloro-6-fluoro-N-formylanilino)acetic acid
SMILESO=CN(CC(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFNO3/c10-6-2-1-3-7(11)9(6)12(5-13)4-8(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyQUQGXMONTHJNDG-UHFFFAOYSA-N
MW231.61 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid

2-(2-chloro-6-fluoro-N-formylanilino)acetic acid (PubChem CID 20848546) has the molecular formula C9H7ClFNO3 and a molecular weight of 231.61 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluoro-N-formylanilino)acetic acid
PubChem CID20848546
Molecular FormulaC9H7ClFNO3
Molecular Weight231.61 g/mol
Exact Mass231.01
IUPAC Name2-(2-chloro-6-fluoro-N-formylanilino)acetic acid
SMILESO=CN(CC(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFNO3/c10-6-2-1-3-7(11)9(6)12(5-13)4-8(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyQUQGXMONTHJNDG-UHFFFAOYSA-N
XLogP1.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(4-chlorophenyl)acetamido]acetic acid
CID 14484963
6961-49-5
CID 247831
(4-Bromo-2-chloroformylanilino)acetic acid
CID 5085595
(Acetyl-3-chloroanilino)acetic acid
CID 24212693
N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 15515085
methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate
CID 21427650
2-[N-(carboxymethyl)-5-chloro-2-fluoroanilino]acetic acid
CID 58135437
(3-Chloro-4-fluorophenyl)-(2-hydroxyethyl)carbamic acid
CID 68294529
2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid
CID 71254884
methyl 2-[3-chloro-2-fluoro-N-(2-hydroxyethyl)anilino]acetate
CID 71254990
2-(3-chloro-4-fluoro-N-methylanilino)acetic acid
CID 82113980
2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid
CID 83560721

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid?
The IUPAC name of 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid (CID 20848546) is 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid is O=CN(CC(=O)O)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid?
The InChIKey is QUQGXMONTHJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO3/c10-6-2-1-3-7(11)9(6)12(5-13)4-8(14)15/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid?
2-(2-chloro-6-fluoro-N-formylanilino)acetic acid has a molecular weight of 231.61 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoro-N-formylanilino)acetic acid is sourced from PubChem (CID 20848546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).