3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid

C16H16FNO2 — CID 82134540

IUPAC3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid
SMILESCN(c1ccccc1)C(CC(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-18(12-7-3-2-4-8-12)15(11-16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeySLCXZQZCQROUHO-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.48
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid

3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid (PubChem CID 82134540) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid
PubChem CID82134540
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid
SMILESCN(c1ccccc1)C(CC(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-18(12-7-3-2-4-8-12)15(11-16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeySLCXZQZCQROUHO-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)butanoic acid
CID 72755664
2-(2-fluorophenyl)butanedioic acid
CID 50990542
4-(dimethylamino)-4-(2-fluorophenyl)-2-methylbutanoic acid
CID 116908280
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
4-(N-methylanilino)pentan-2-one
CID 64697699

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid (CID 82134540) is 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid is CN(c1ccccc1)C(CC(=O)O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid?
The InChIKey is SLCXZQZCQROUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18(12-7-3-2-4-8-12)15(11-16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid?
3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid is sourced from PubChem (CID 82134540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).