(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide

C14H12BrFN2O2 — CID 6930724

IUPAC(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
SMILESC[C@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-9(15)14(19)18-11-4-7-13(17-8-11)20-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyMJOHRGRXTHQLPX-VIFPVBQESA-N
MW339.16 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide

(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide (PubChem CID 6930724) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
PubChem CID6930724
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
SMILESC[C@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-9(15)14(19)18-11-4-7-13(17-8-11)20-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyMJOHRGRXTHQLPX-VIFPVBQESA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.73
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

2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567515
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide (CID 6930724) is (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide is C[C@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The InChIKey is MJOHRGRXTHQLPX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-9(15)14(19)18-11-4-7-13(17-8-11)20-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide has a molecular weight of 339.16 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 6930724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).