1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone

C21H23ClFNO3 — CID 42691674

IUPAC1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCOC(COCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C21H23ClFNO3/c1-15-4-2-3-5-16(15)10-21(25)24-8-9-27-19(12-24)14-26-13-17-6-7-18(23)11-20(17)22/h2-7,11,19H,8-10,12-14H2,1H3
InChIKeyLPTJBHIUHNLRBG-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.77
Rot. Bonds6

About 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone

1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone (PubChem CID 42691674) has the molecular formula C21H23ClFNO3 and a molecular weight of 391.87 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone
PubChem CID42691674
Molecular FormulaC21H23ClFNO3
Molecular Weight391.87 g/mol
Exact Mass391.14
IUPAC Name1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCOC(COCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C21H23ClFNO3/c1-15-4-2-3-5-16(15)10-21(25)24-8-9-27-19(12-24)14-26-13-17-6-7-18(23)11-20(17)22/h2-7,11,19H,8-10,12-14H2,1H3
InChIKeyLPTJBHIUHNLRBG-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone (CID 42691674) is 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCOC(COCc2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is LPTJBHIUHNLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO3/c1-15-4-2-3-5-16(15)10-21(25)24-8-9-27-19(12-24)14-26-13-17-6-7-18(23)11-20(17)22/h2-7,11,19H,8-10,12-14H2,1H3.
What are the key properties of 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone?
1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 391.87 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 42691674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).