4-(2-chloroanilino)-3-fluorobenzoic acid

C13H9ClFNO2 — CID 82304224

IUPAC4-(2-chloroanilino)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-1-2-4-11(9)16-12-6-5-8(13(17)18)7-10(12)15/h1-7,16H,(H,17,18)
InChIKeyUGEMNFNEBHQCNF-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.92
Rot. Bonds3

About 4-(2-chloroanilino)-3-fluorobenzoic acid

4-(2-chloroanilino)-3-fluorobenzoic acid (PubChem CID 82304224) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-(2-chloroanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-chloroanilino)-3-fluorobenzoic acid
PubChem CID82304224
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name4-(2-chloroanilino)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-1-2-4-11(9)16-12-6-5-8(13(17)18)7-10(12)15/h1-7,16H,(H,17,18)
InChIKeyUGEMNFNEBHQCNF-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

4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
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4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
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4-chloro-3-(2-hydroxyanilino)benzoic acid
CID 82537358
[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
CID 14243390
4-(2-cyano-3-fluoroanilino)-3-fluorobenzoic acid
CID 79513008
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
4-chloro-3-fluorobenzoic acid
CID 2736536
4-(3-chloro-4-cyanoanilino)-3-fluorobenzoic acid
CID 63188308
4-(5-chloro-2-nitroanilino)-3-fluorobenzoic acid
CID 115469376
4-(2-fluoroanilino)benzoic acid
CID 62231206

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-3-fluorobenzoic acid?
The IUPAC name of 4-(2-chloroanilino)-3-fluorobenzoic acid (CID 82304224) is 4-(2-chloroanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2-chloroanilino)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2-chloroanilino)-3-fluorobenzoic acid is O=C(O)c1ccc(Nc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chloroanilino)-3-fluorobenzoic acid?
The InChIKey is UGEMNFNEBHQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-9-3-1-2-4-11(9)16-12-6-5-8(13(17)18)7-10(12)15/h1-7,16H,(H,17,18).
What are the key properties of 4-(2-chloroanilino)-3-fluorobenzoic acid?
4-(2-chloroanilino)-3-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 4-(2-chloroanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 82304224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).