[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone

C21H24ClNO3 — CID 55982427

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO3/c1-15(2)14-26-19-5-3-4-17(12-19)21(24)23-10-11-25-20(13-23)16-6-8-18(22)9-7-16/h3-9,12,15,20H,10-11,13-14H2,1-2H3
InChIKeyWAPUXCNDALZFTK-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.59
Rot. Bonds5

About [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone

[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone (PubChem CID 55982427) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
PubChem CID55982427
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO3/c1-15(2)14-26-19-5-3-4-17(12-19)21(24)23-10-11-25-20(13-23)16-6-8-18(22)9-7-16/h3-9,12,15,20H,10-11,13-14H2,1-2H3
InChIKeyWAPUXCNDALZFTK-UHFFFAOYSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone with MolForge

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Related Compounds

4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
[2-(4-chlorophenyl)morpholin-4-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 55947511
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
(3S,4S)-4-methyl-1-[3-(2-methylpropoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952417
2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
CID 129466702
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone (CID 55982427) is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone is CC(C)COc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The InChIKey is WAPUXCNDALZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-15(2)14-26-19-5-3-4-17(12-19)21(24)23-10-11-25-20(13-23)16-6-8-18(22)9-7-16/h3-9,12,15,20H,10-11,13-14H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone has a molecular weight of 373.88 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 55982427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).