(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone

C11H12ClNO3 — CID 141051954

IUPAC(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOCCO1
InChIInChI=1S/C11H12ClNO3/c12-10-3-1-9(2-4-10)11(14)13-5-6-15-7-8-16-13/h1-4H,5-8H2
InChIKeyMVQFPLZHWQMHCE-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.74
Rot. Bonds1

About (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone

(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone (PubChem CID 141051954) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
PubChem CID141051954
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOCCO1
InChIInChI=1S/C11H12ClNO3/c12-10-3-1-9(2-4-10)11(14)13-5-6-15-7-8-16-13/h1-4H,5-8H2
InChIKeyMVQFPLZHWQMHCE-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
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(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120
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(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
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CID 2726464
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
1-(4-chlorophenyl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55496271
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone (CID 141051954) is (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCOCCO1.
What is the InChIKey of (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone?
The InChIKey is MVQFPLZHWQMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-10-3-1-9(2-4-10)11(14)13-5-6-15-7-8-16-13/h1-4H,5-8H2.
What are the key properties of (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone?
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone has a molecular weight of 241.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone is sourced from PubChem (CID 141051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).