1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone

C14H14ClNO3 — CID 81210335

IUPAC1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCOC(CCl)C1
InChIInChI=1S/C14H14ClNO3/c15-8-11-9-16(5-6-18-11)14(17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11H,5-6,8-9H2
InChIKeyIYFPMTWWHQWNOM-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.51
Rot. Bonds2

About 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone

1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone (PubChem CID 81210335) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
PubChem CID81210335
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCOC(CCl)C1
InChIInChI=1S/C14H14ClNO3/c15-8-11-9-16(5-6-18-11)14(17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11H,5-6,8-9H2
InChIKeyIYFPMTWWHQWNOM-UHFFFAOYSA-N
XLogP2.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247587
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone (CID 81210335) is 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone is O=C(c1cc2ccccc2o1)N1CCOC(CCl)C1.
What is the InChIKey of 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone?
The InChIKey is IYFPMTWWHQWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-8-11-9-16(5-6-18-11)14(17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11H,5-6,8-9H2.
What are the key properties of 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone?
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone has a molecular weight of 279.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81210335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).