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

C14H12FNO2 — CID 83721799

IUPAC4-fluoro-2-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H12FNO2/c1-16(11-5-3-2-4-6-11)13-9-10(15)7-8-12(13)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyYMNMRTMMIXLLNQ-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.29
Rot. Bonds3

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

4-fluoro-2-(N-methylanilino)benzoic acid (PubChem CID 83721799) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-fluoro-2-(N-methylanilino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(N-methylanilino)benzoic acid
PubChem CID83721799
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name4-fluoro-2-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H12FNO2/c1-16(11-5-3-2-4-6-11)13-9-10(15)7-8-12(13)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyYMNMRTMMIXLLNQ-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

2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
CID 81304312
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
[5-fluoro-2-(N-methylanilino)phenyl]methanol
CID 43313086
5-bromo-2-(3-fluoro-N-methylanilino)benzoic acid
CID 114895693
4-anilino-5-(N-methylanilino)phthalic acid
CID 22918377
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
3-fluoro-5-(N-methylanilino)benzoic acid
CID 82537620
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(N-methylanilino)benzoic acid?
The IUPAC name of 4-fluoro-2-(N-methylanilino)benzoic acid (CID 83721799) is 4-fluoro-2-(N-methylanilino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(N-methylanilino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(N-methylanilino)benzoic acid is CN(c1ccccc1)c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(N-methylanilino)benzoic acid?
The InChIKey is YMNMRTMMIXLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-16(11-5-3-2-4-6-11)13-9-10(15)7-8-12(13)14(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-(N-methylanilino)benzoic acid?
4-fluoro-2-(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 4-fluoro-2-(N-methylanilino)benzoic acid is sourced from PubChem (CID 83721799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).