2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid

C15H14FNO3 — CID 81304312

IUPAC2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c1-17(11-5-3-10(16)4-6-11)14-9-12(20-2)7-8-13(14)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyVJJYOBKDQPECJI-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid

2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid (PubChem CID 81304312) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
PubChem CID81304312
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c1-17(11-5-3-10(16)4-6-11)14-9-12(20-2)7-8-13(14)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyVJJYOBKDQPECJI-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid?
The IUPAC name of 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid (CID 81304312) is 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid?
The canonical SMILES for 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(N(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid?
The InChIKey is VJJYOBKDQPECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-17(11-5-3-10(16)4-6-11)14-9-12(20-2)7-8-13(14)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid?
2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid is sourced from PubChem (CID 81304312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).