3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide

C10H10BrF3N2O2 — CID 106171079

IUPAC3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O2/c11-5-1-2-6(10(12,13)14)7(3-5)16-4-8(17)9(15)18/h1-3,8,16-17H,4H2,(H2,15,18)
InChIKeyUZMNREUTDLMUJB-UHFFFAOYSA-N
MW327.10 g/mol
LogP1.73
Rot. Bonds4

About 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide

3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide (PubChem CID 106171079) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
PubChem CID106171079
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O2/c11-5-1-2-6(10(12,13)14)7(3-5)16-4-8(17)9(15)18/h1-3,8,16-17H,4H2,(H2,15,18)
InChIKeyUZMNREUTDLMUJB-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
3-[5-bromo-2-(trifluoromethyl)anilino]-3-methylbutanamide
CID 106097201
3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
CID 106170818
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
4-[5-bromo-2-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 107285618
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
CID 107286561
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The IUPAC name of 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide (CID 106171079) is 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The canonical SMILES for 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The InChIKey is UZMNREUTDLMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c11-5-1-2-6(10(12,13)14)7(3-5)16-4-8(17)9(15)18/h1-3,8,16-17H,4H2,(H2,15,18).
What are the key properties of 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide has a molecular weight of 327.10 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide is sourced from PubChem (CID 106171079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).