(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide

C14H11BrF2N2O2 — CID 163237982

IUPAC(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
SMILESC[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H11BrF2N2O2/c1-8(15)14(20)19-13-5-3-10(7-18-13)21-12-4-2-9(16)6-11(12)17/h2-8H,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyJIEMKFVKRSYAIX-MRVPVSSYSA-N
MW357.15 g/mol
LogP3.87
Rot. Bonds4

About (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide

(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide (PubChem CID 163237982) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
PubChem CID163237982
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
SMILESC[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H11BrF2N2O2/c1-8(15)14(20)19-13-5-3-10(7-18-13)21-12-4-2-9(16)6-11(12)17/h2-8H,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyJIEMKFVKRSYAIX-MRVPVSSYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.87
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-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 164734840
N-[5-(2,4-difluorophenoxy)-2-pyridinyl]-2-[(1S,3R)-3-(6-oxo-1H-pyridin-3-yl)cyclohexyl]propanamide
CID 164734588
4-[(3S)-1-[(2S)-1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]pyridine-2-carboxamide
CID 164734918
(2R)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(4-fluorophenyl)propanamide
CID 167906425
2-[3-[2-(acetamidomethyl)-1-oxidopyridin-1-ium-4-yl]-4,4-difluoropiperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide;N-[[4-(4,4-difluoropiperidin-3-yl)-1-oxidopyridin-1-ium-2-yl]methyl]acetamide;methane
CID 165080311
4-[4-[1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]morpholin-2-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 175724284
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520
2-[4,4-difluoro-3-[5-(methylaminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230826
2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide?
The IUPAC name of (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide (CID 163237982) is (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide is C[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1.
What is the InChIKey of (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide?
The InChIKey is JIEMKFVKRSYAIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-8(15)14(20)19-13-5-3-10(7-18-13)21-12-4-2-9(16)6-11(12)17/h2-8H,1H3,(H,18,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide?
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide has a molecular weight of 357.15 g/mol, XLogP of 3.87, 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-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide is sourced from PubChem (CID 163237982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).