2-azido-N-[2-(chloromethoxy)ethyl]propanamide

C6H11ClN4O2 — CID 164821718

IUPAC2-azido-N-[2-(chloromethoxy)ethyl]propanamide
SMILESCC(N=[N+]=[N-])C(=O)NCCOCCl
InChIInChI=1S/C6H11ClN4O2/c1-5(10-11-8)6(12)9-2-3-13-4-7/h5H,2-4H2,1H3,(H,9,12)
InChIKeyRABDALYZAIBDEP-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.01
Rot. Bonds6

About 2-azido-N-[2-(chloromethoxy)ethyl]propanamide

2-azido-N-[2-(chloromethoxy)ethyl]propanamide (PubChem CID 164821718) has the molecular formula C6H11ClN4O2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-azido-N-[2-(chloromethoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-azido-N-[2-(chloromethoxy)ethyl]propanamide
PubChem CID164821718
Molecular FormulaC6H11ClN4O2
Molecular Weight206.63 g/mol
Exact Mass206.06
IUPAC Name2-azido-N-[2-(chloromethoxy)ethyl]propanamide
SMILESCC(N=[N+]=[N-])C(=O)NCCOCCl
InChIInChI=1S/C6H11ClN4O2/c1-5(10-11-8)6(12)9-2-3-13-4-7/h5H,2-4H2,1H3,(H,9,12)
InChIKeyRABDALYZAIBDEP-UHFFFAOYSA-N
XLogP1.01
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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2-azido-N-benzylpropanamide
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(2S,3S)-2-azido-3-methylpentanoyl chloride
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N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
N-(2-butoxyethyl)-2-chloropropanamide
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ethyl (2S)-2-azidopropanoate
CID 15266179
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
2-azidopropanoic acid
CID 14720889

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[2-(chloromethoxy)ethyl]propanamide?
The IUPAC name of 2-azido-N-[2-(chloromethoxy)ethyl]propanamide (CID 164821718) is 2-azido-N-[2-(chloromethoxy)ethyl]propanamide.
What is the SMILES notation for 2-azido-N-[2-(chloromethoxy)ethyl]propanamide?
The canonical SMILES for 2-azido-N-[2-(chloromethoxy)ethyl]propanamide is CC(N=[N+]=[N-])C(=O)NCCOCCl.
What is the InChIKey of 2-azido-N-[2-(chloromethoxy)ethyl]propanamide?
The InChIKey is RABDALYZAIBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN4O2/c1-5(10-11-8)6(12)9-2-3-13-4-7/h5H,2-4H2,1H3,(H,9,12).
What are the key properties of 2-azido-N-[2-(chloromethoxy)ethyl]propanamide?
2-azido-N-[2-(chloromethoxy)ethyl]propanamide has a molecular weight of 206.63 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[2-(chloromethoxy)ethyl]propanamide is sourced from PubChem (CID 164821718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).