3-fluoro-5-(N-methylanilino)benzoic acid

C14H12FNO2 — CID 82537620

IUPAC3-fluoro-5-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-16(12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(15)9-13/h2-9H,1H3,(H,17,18)
InChIKeyBTSIOKYLVCHAKK-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.29
Rot. Bonds3

About 3-fluoro-5-(N-methylanilino)benzoic acid

3-fluoro-5-(N-methylanilino)benzoic acid (PubChem CID 82537620) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-fluoro-5-(N-methylanilino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(N-methylanilino)benzoic acid
PubChem CID82537620
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-fluoro-5-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-16(12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(15)9-13/h2-9H,1H3,(H,17,18)
InChIKeyBTSIOKYLVCHAKK-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzoic acid;N-methyl-N-phenylaniline
CID 158055475
3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid
CID 130985573
3-fluoro-5-[4-(N-phenylanilino)phenyl]benzoic acid
CID 122695501
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
3-fluoro-5-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 82537873
4-(3-acetyl-N-methylanilino)benzoic acid
CID 117029329
3-(4-chloro-N-methylanilino)benzoic acid
CID 117029301
3,5-difluoro-N'-methyl-N'-phenylbenzohydrazide
CID 9479852
4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
3-bromo-5-(N,3-dimethylanilino)benzoic acid
CID 102822791

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(N-methylanilino)benzoic acid?
The IUPAC name of 3-fluoro-5-(N-methylanilino)benzoic acid (CID 82537620) is 3-fluoro-5-(N-methylanilino)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(N-methylanilino)benzoic acid?
The canonical SMILES for 3-fluoro-5-(N-methylanilino)benzoic acid is CN(c1ccccc1)c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-(N-methylanilino)benzoic acid?
The InChIKey is BTSIOKYLVCHAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-16(12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(15)9-13/h2-9H,1H3,(H,17,18).
What are the key properties of 3-fluoro-5-(N-methylanilino)benzoic acid?
3-fluoro-5-(N-methylanilino)benzoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(N-methylanilino)benzoic acid is sourced from PubChem (CID 82537620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).