2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide

C14H19ClN2O2 — CID 102604202

IUPAC2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
SMILESNC(=O)CN1CCOCC(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-11-8-17(9-14(16)18)5-6-19-10-11/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyWZBMLDUJWRQWFC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.32
Rot. Bonds4

About 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide

2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide (PubChem CID 102604202) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
PubChem CID102604202
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
SMILESNC(=O)CN1CCOCC(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-11-8-17(9-14(16)18)5-6-19-10-11/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyWZBMLDUJWRQWFC-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide?
The IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide (CID 102604202) is 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide.
What is the SMILES notation for 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide?
The canonical SMILES for 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide is NC(=O)CN1CCOCC(Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide?
The InChIKey is WZBMLDUJWRQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-11-8-17(9-14(16)18)5-6-19-10-11/h1-4,11H,5-10H2,(H2,16,18).
What are the key properties of 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide?
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide is sourced from PubChem (CID 102604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).