2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone

C13H16ClNO2 — CID 134160663

IUPAC2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCOCC1
InChIInChI=1S/C13H16ClNO2/c14-12-5-2-1-4-11(12)10-13(16)15-6-3-8-17-9-7-15/h1-2,4-5H,3,6-10H2
InChIKeyKQGOYHAZUCOWNG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone

2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone (PubChem CID 134160663) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
PubChem CID134160663
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCOCC1
InChIInChI=1S/C13H16ClNO2/c14-12-5-2-1-4-11(12)10-13(16)15-6-3-8-17-9-7-15/h1-2,4-5H,3,6-10H2
InChIKeyKQGOYHAZUCOWNG-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-(2-chlorophenyl)ethanone
CID 63394834
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
CID 12884237
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone (CID 134160663) is 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone is O=C(Cc1ccccc1Cl)N1CCCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone?
The InChIKey is KQGOYHAZUCOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-5-2-1-4-11(12)10-13(16)15-6-3-8-17-9-7-15/h1-2,4-5H,3,6-10H2.
What are the key properties of 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone?
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone is sourced from PubChem (CID 134160663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).