N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide

C9H10BrClN2O2 — CID 59276950

IUPACN-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
SMILESO=C(COCCCl)Nc1ccnc(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c10-8-5-7(1-3-12-8)13-9(14)6-15-4-2-11/h1,3,5H,2,4,6H2,(H,12,13,14)
InChIKeyPPHJWZVSTLLEPI-UHFFFAOYSA-N
MW293.55 g/mol
LogP2.04
Rot. Bonds5

About N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide

N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide (PubChem CID 59276950) has the molecular formula C9H10BrClN2O2 and a molecular weight of 293.55 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
PubChem CID59276950
Molecular FormulaC9H10BrClN2O2
Molecular Weight293.55 g/mol
Exact Mass291.96
IUPAC NameN-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
SMILESO=C(COCCCl)Nc1ccnc(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c10-8-5-7(1-3-12-8)13-9(14)6-15-4-2-11/h1,3,5H,2,4,6H2,(H,12,13,14)
InChIKeyPPHJWZVSTLLEPI-UHFFFAOYSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide
CID 58713604
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678339

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide (CID 59276950) is N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide is O=C(COCCCl)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide?
The InChIKey is PPHJWZVSTLLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2/c10-8-5-7(1-3-12-8)13-9(14)6-15-4-2-11/h1,3,5H,2,4,6H2,(H,12,13,14).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide?
N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide has a molecular weight of 293.55 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide is sourced from PubChem (CID 59276950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).