5-(2-chloroanilino)-2-fluorobenzoic acid

C13H9ClFNO2 — CID 82536969

IUPAC5-(2-chloroanilino)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Nc2ccccc2Cl)ccc1F
InChIInChI=1S/C13H9ClFNO2/c14-10-3-1-2-4-12(10)16-8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDLJPIRDCTWCJPG-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.92
Rot. Bonds3

About 5-(2-chloroanilino)-2-fluorobenzoic acid

5-(2-chloroanilino)-2-fluorobenzoic acid (PubChem CID 82536969) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 5-(2-chloroanilino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(2-chloroanilino)-2-fluorobenzoic acid
PubChem CID82536969
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name5-(2-chloroanilino)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Nc2ccccc2Cl)ccc1F
InChIInChI=1S/C13H9ClFNO2/c14-10-3-1-2-4-12(10)16-8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDLJPIRDCTWCJPG-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 63500586
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
2-anilino-5-fluoroterephthalic acid
CID 16748393
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
3-bromo-5-chloro-2-(2-chloroanilino)benzoic acid
CID 165363155
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-2-fluorobenzoic acid?
The IUPAC name of 5-(2-chloroanilino)-2-fluorobenzoic acid (CID 82536969) is 5-(2-chloroanilino)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(2-chloroanilino)-2-fluorobenzoic acid?
The canonical SMILES for 5-(2-chloroanilino)-2-fluorobenzoic acid is O=C(O)c1cc(Nc2ccccc2Cl)ccc1F.
What is the InChIKey of 5-(2-chloroanilino)-2-fluorobenzoic acid?
The InChIKey is DLJPIRDCTWCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-10-3-1-2-4-12(10)16-8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 5-(2-chloroanilino)-2-fluorobenzoic acid?
5-(2-chloroanilino)-2-fluorobenzoic acid has a molecular weight of 265.67 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-2-fluorobenzoic acid is sourced from PubChem (CID 82536969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).