2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid

C16H16FNO2 — CID 84746440

IUPAC2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
SMILESCCN(c1ccccc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-18(12-8-4-3-5-9-12)15(16(19)20)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,19,20)
InChIKeyOPNLWBBYPGPPQQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.48
Rot. Bonds5

About 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid

2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid (PubChem CID 84746440) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
PubChem CID84746440
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
SMILESCCN(c1ccccc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-18(12-8-4-3-5-9-12)15(16(19)20)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,19,20)
InChIKeyOPNLWBBYPGPPQQ-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

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748788
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid
CID 68695739
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
2-[dimethylamino-(2-fluorophenyl)methyl]butanoic acid
CID 116913127
3-(2-fluorophenyl)-3-(N-methylanilino)propanoic acid
CID 82134540
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-2-(2-fluorophenyl)acetic acid
CID 136550329
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260
2-(aminomethyl)-4-(2-fluorophenyl)hexanoic acid
CID 69267183

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid (CID 84746440) is 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid is CCN(c1ccccc1)C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid?
The InChIKey is OPNLWBBYPGPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-18(12-8-4-3-5-9-12)15(16(19)20)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,19,20).
What are the key properties of 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid?
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic 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 2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 84746440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).