2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide

C15H15BrN2O2 — CID 163237790

IUPAC2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-11(16)15(19)18-14-8-7-13(9-17-14)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyRZYAUFVMOUZIAK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.38
Rot. Bonds5

About 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide

2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide (PubChem CID 163237790) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
PubChem CID163237790
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-11(16)15(19)18-14-8-7-13(9-17-14)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyRZYAUFVMOUZIAK-UHFFFAOYSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.38
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-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
(2S)-N-(5-methyl-2-pyridinyl)-2-phenylmethoxypropanamide
CID 51941390
N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 175623102
2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
CID 163238093
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
1-(2,6-dioxopiperidin-3-yl)-3-(5-phenylmethoxy-2-pyridinyl)urea
CID 153384906
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide?
The IUPAC name of 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide (CID 163237790) is 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide.
What is the SMILES notation for 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide?
The canonical SMILES for 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide is CC(Br)C(=O)Nc1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide?
The InChIKey is RZYAUFVMOUZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-11(16)15(19)18-14-8-7-13(9-17-14)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide?
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide is sourced from PubChem (CID 163237790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).