2-(4-fluoroanilino)-3-methylbenzoic acid

C14H12FNO2 — CID 174940932

IUPAC2-(4-fluoroanilino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c1-9-3-2-4-12(14(17)18)13(9)16-11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18)
InChIKeyFCDPQFFYVZIKQK-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-fluoroanilino)-3-methylbenzoic acid

2-(4-fluoroanilino)-3-methylbenzoic acid (PubChem CID 174940932) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-methylbenzoic acid
PubChem CID174940932
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-(4-fluoroanilino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c1-9-3-2-4-12(14(17)18)13(9)16-11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18)
InChIKeyFCDPQFFYVZIKQK-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-(4-methoxyanilino)-3-methylbenzoic acid
CID 174942223
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
3-(4-fluoroanilino)phthalic acid
CID 150630608
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
2-(2-benzoylanilino)-3-methylbenzoic acid
CID 22294681
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113032265
2-(methanesulfonamido)-3-methylbenzoic acid
CID 16773117
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
3-bromo-2-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 63112803
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-methylbenzoic acid?
The IUPAC name of 2-(4-fluoroanilino)-3-methylbenzoic acid (CID 174940932) is 2-(4-fluoroanilino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-3-methylbenzoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-3-methylbenzoic acid?
The InChIKey is FCDPQFFYVZIKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-3-2-4-12(14(17)18)13(9)16-11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-(4-fluoroanilino)-3-methylbenzoic acid?
2-(4-fluoroanilino)-3-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)-3-methylbenzoic acid is sourced from PubChem (CID 174940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).