2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid

C12H12F3NO3 — CID 63688513

IUPAC2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO3/c1-2-16(7-17)10(11(18)19)8-4-3-5-9(6-8)12(13,14)15/h3-7,10H,2H2,1H3,(H,18,19)
InChIKeyJXAKKHZWGZXMAT-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.31
Rot. Bonds5

About 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid

2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 63688513) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID63688513
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO3/c1-2-16(7-17)10(11(18)19)8-4-3-5-9(6-8)12(13,14)15/h3-7,10H,2H2,1H3,(H,18,19)
InChIKeyJXAKKHZWGZXMAT-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-[formyl(propyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104777
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79053452
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
tert-butyl-[2-(2-hydroxyethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 66802303
2-[formyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 63690009
(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 97028450
1-bromo-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 59713016
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 63688513) is 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid is CCN(C=O)C(C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is JXAKKHZWGZXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-2-16(7-17)10(11(18)19)8-4-3-5-9(6-8)12(13,14)15/h3-7,10H,2H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 63688513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).