2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid

C11H10BrF3N2O3 — CID 65484378

IUPAC2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3N2O3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(18)17-5-10(19)20/h1-3,16H,4-5H2,(H,17,18)(H,19,20)
InChIKeyOTVSJLUCPPGEKX-UHFFFAOYSA-N
MW355.11 g/mol
LogP2.08
Rot. Bonds5

About 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid

2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid (PubChem CID 65484378) has the molecular formula C11H10BrF3N2O3 and a molecular weight of 355.11 g/mol. Its IUPAC name is 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
PubChem CID65484378
Molecular FormulaC11H10BrF3N2O3
Molecular Weight355.11 g/mol
Exact Mass353.98
IUPAC Name2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3N2O3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(18)17-5-10(19)20/h1-3,16H,4-5H2,(H,17,18)(H,19,20)
InChIKeyOTVSJLUCPPGEKX-UHFFFAOYSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.11
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
3-[4-bromo-2-(trifluoromethyl)anilino]-3-methylbutanoic acid
CID 65484776
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
(Z)-4-[4-bromo-2-(trifluoromethyl)anilino]-2-methylbut-2-enoic acid
CID 103239531
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
CID 31418044
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid (CID 65484378) is 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid?
The InChIKey is OTVSJLUCPPGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(18)17-5-10(19)20/h1-3,16H,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid?
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid has a molecular weight of 355.11 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid is sourced from PubChem (CID 65484378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).