2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid

C15H14FNO2 — CID 39232563

IUPAC2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
SMILESCN(C)c1ccc(-c2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-17(2)12-6-3-10(4-7-12)13-8-5-11(16)9-14(13)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyIMCPZPWSAIMHKH-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.26
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid

2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid (PubChem CID 39232563) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
PubChem CID39232563
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
SMILESCN(C)c1ccc(-c2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-17(2)12-6-3-10(4-7-12)13-8-5-11(16)9-14(13)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyIMCPZPWSAIMHKH-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid;2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 158576991
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid (CID 39232563) is 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid is CN(C)c1ccc(-c2ccc(F)cc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid?
The InChIKey is IMCPZPWSAIMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-17(2)12-6-3-10(4-7-12)13-8-5-11(16)9-14(13)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid?
2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid is sourced from PubChem (CID 39232563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).