(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone

C14H14ClNO3 — CID 56811977

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H14ClNO3/c1-9-8-18-5-4-16(9)14(17)13-7-10-6-11(15)2-3-12(10)19-13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyHTYIETRQKIDJAR-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.95
Rot. Bonds1

About (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 56811977) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID56811977
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H14ClNO3/c1-9-8-18-5-4-16(9)14(17)13-7-10-6-11(15)2-3-12(10)19-13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyHTYIETRQKIDJAR-UHFFFAOYSA-N
XLogP2.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone (CID 56811977) is (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is HTYIETRQKIDJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-8-18-5-4-16(9)14(17)13-7-10-6-11(15)2-3-12(10)19-13/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 279.72 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 56811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).