2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid

C15H11ClFNO4 — CID 11438700

IUPAC2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11ClFNO4/c16-11-7-9(5-6-12(11)17)22-8-14(19)18-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCKNSFLUTFNXQBF-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.19
Rot. Bonds5

About 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid (PubChem CID 11438700) has the molecular formula C15H11ClFNO4 and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
PubChem CID11438700
Molecular FormulaC15H11ClFNO4
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11ClFNO4/c16-11-7-9(5-6-12(11)17)22-8-14(19)18-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCKNSFLUTFNXQBF-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 55556106
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid (CID 11438700) is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid is O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid?
The InChIKey is CKNSFLUTFNXQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4/c16-11-7-9(5-6-12(11)17)22-8-14(19)18-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid?
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid has a molecular weight of 323.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 11438700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).