2-(4-fluoroanilino)-5-methylbenzoic acid

C14H12FNO2 — CID 55222818

IUPAC2-(4-fluoroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-9-2-7-13(12(8-9)14(17)18)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyYFMWOEDKBKBKCM-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-fluoroanilino)-5-methylbenzoic acid

2-(4-fluoroanilino)-5-methylbenzoic acid (PubChem CID 55222818) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-5-methylbenzoic acid
PubChem CID55222818
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-(4-fluoroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-9-2-7-13(12(8-9)14(17)18)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyYFMWOEDKBKBKCM-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450
2-[2-(4-fluorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528850
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
2-(3,5-difluoroanilino)-5-fluorobenzoic acid
CID 82535820
2-(3-acetamidoanilino)-5-methylbenzoic acid
CID 62515495
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylbenzoic acid
CID 62514114
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-5-methylbenzoic acid?
The IUPAC name of 2-(4-fluoroanilino)-5-methylbenzoic acid (CID 55222818) is 2-(4-fluoroanilino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-5-methylbenzoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-5-methylbenzoic acid is Cc1ccc(Nc2ccc(F)cc2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-fluoroanilino)-5-methylbenzoic acid?
The InChIKey is YFMWOEDKBKBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-2-7-13(12(8-9)14(17)18)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-(4-fluoroanilino)-5-methylbenzoic acid?
2-(4-fluoroanilino)-5-methylbenzoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-5-methylbenzoic acid is sourced from PubChem (CID 55222818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).