(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide

C15H12BrF3N2O2 — CID 7004327

IUPAC(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
SMILESC[C@@H](Br)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H12BrF3N2O2/c1-9(16)14(22)21-11-5-6-13(20-8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-9H,1H3,(H,21,22)/t9-/m1/s1
InChIKeyFTKJLHZSLKRBKT-SECBINFHSA-N
MW389.17 g/mol
LogP4.61
Rot. Bonds4

About (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide

(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide (PubChem CID 7004327) has the molecular formula C15H12BrF3N2O2 and a molecular weight of 389.17 g/mol. Its IUPAC name is (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
PubChem CID7004327
Molecular FormulaC15H12BrF3N2O2
Molecular Weight389.17 g/mol
Exact Mass388.00
IUPAC Name(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
SMILESC[C@@H](Br)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H12BrF3N2O2/c1-9(16)14(22)21-11-5-6-13(20-8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-9H,1H3,(H,21,22)/t9-/m1/s1
InChIKeyFTKJLHZSLKRBKT-SECBINFHSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
1-[4-(1,1-difluoropropylsulfanyl)phenyl]-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 178016657
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 118278600
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The IUPAC name of (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide (CID 7004327) is (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide is C[C@@H](Br)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
The InChIKey is FTKJLHZSLKRBKT-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrF3N2O2/c1-9(16)14(22)21-11-5-6-13(20-8-11)23-12-4-2-3-10(7-12)15(17,18)19/h2-9H,1H3,(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide?
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide has a molecular weight of 389.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide is sourced from PubChem (CID 7004327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).