2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide

C14H17ClN2O2 — CID 156734543

IUPAC2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide
SMILES[H]/N=C/c1ccc(C2(NC(=O)CCl)CCOCC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-13(18)17-14(5-7-19-8-6-14)12-3-1-11(10-16)2-4-12/h1-4,10,16H,5-9H2,(H,17,18)/b16-10+
InChIKeyUFNMXYAYHWJELN-MHWRWJLKSA-N
MW280.75 g/mol
LogP2.04
Rot. Bonds4

About 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide

2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide (PubChem CID 156734543) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide
PubChem CID156734543
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide
SMILES[H]/N=C/c1ccc(C2(NC(=O)CCl)CCOCC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-13(18)17-14(5-7-19-8-6-14)12-3-1-11(10-16)2-4-12/h1-4,10,16H,5-9H2,(H,17,18)/b16-10+
InChIKeyUFNMXYAYHWJELN-MHWRWJLKSA-N
XLogP2.04
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide (CID 156734543) is 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide is [H]/N=C/c1ccc(C2(NC(=O)CCl)CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide?
The InChIKey is UFNMXYAYHWJELN-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-9-13(18)17-14(5-7-19-8-6-14)12-3-1-11(10-16)2-4-12/h1-4,10,16H,5-9H2,(H,17,18)/b16-10+.
What are the key properties of 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide?
2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-methanimidoylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 156734543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).