[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone

C15H16ClNO3 — CID 81210117

IUPAC[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCOC(CCl)C3)cc2c1
InChIInChI=1S/C15H16ClNO3/c1-10-2-3-13-11(6-10)7-14(20-13)15(18)17-4-5-19-12(8-16)9-17/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyYXQPPPVWPJRPAE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.82
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone

[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 81210117) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID81210117
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCOC(CCl)C3)cc2c1
InChIInChI=1S/C15H16ClNO3/c1-10-2-3-13-11(6-10)7-14(20-13)15(18)17-4-5-19-12(8-16)9-17/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyYXQPPPVWPJRPAE-UHFFFAOYSA-N
XLogP2.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247587
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 102938388
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
[(3R,4S,5R)-4,5-dihydroxy-3-morpholin-4-ylazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 110164615
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone (CID 81210117) is [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)N3CCOC(CCl)C3)cc2c1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is YXQPPPVWPJRPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-10-2-3-13-11(6-10)7-14(20-13)15(18)17-4-5-19-12(8-16)9-17/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 293.75 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 81210117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).