5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid

C15H13ClFNO3 — CID 155452555

IUPAC5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
SMILESCCOc1cc(F)ccc1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H13ClFNO3/c1-2-21-14-8-10(17)4-6-13(14)18-12-5-3-9(16)7-11(12)15(19)20/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyUVURLNKVAJHQPH-UHFFFAOYSA-N
MW309.72 g/mol
LogP4.32
Rot. Bonds5

About 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid

5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid (PubChem CID 155452555) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
PubChem CID155452555
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
SMILESCCOc1cc(F)ccc1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H13ClFNO3/c1-2-21-14-8-10(17)4-6-13(14)18-12-5-3-9(16)7-11(12)15(19)20/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyUVURLNKVAJHQPH-UHFFFAOYSA-N
XLogP4.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide
CID 87294357
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
2-(2-ethoxyanilino)benzoic acid
CID 726510
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
2-(4-chloro-2-nitroanilino)-5-fluorobenzoic acid
CID 139392419
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid (CID 155452555) is 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid is CCOc1cc(F)ccc1Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid?
The InChIKey is UVURLNKVAJHQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-2-21-14-8-10(17)4-6-13(14)18-12-5-3-9(16)7-11(12)15(19)20/h3-8,18H,2H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid?
5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid has a molecular weight of 309.72 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid is sourced from PubChem (CID 155452555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).