[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone

C18H17Cl2NO3 — CID 121134461

IUPAC[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)c1
InChIInChI=1S/C18H17Cl2NO3/c1-23-16-4-2-3-12(9-16)18(22)21-5-6-24-17(11-21)13-7-14(19)10-15(20)8-13/h2-4,7-10,17H,5-6,11H2,1H3
InChIKeyUNXAIQYUQPCNET-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.22
Rot. Bonds3

About [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone (PubChem CID 121134461) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
PubChem CID121134461
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)c1
InChIInChI=1S/C18H17Cl2NO3/c1-23-16-4-2-3-12(9-16)18(22)21-5-6-24-17(11-21)13-7-14(19)10-15(20)8-13/h2-4,7-10,17H,5-6,11H2,1H3
InChIKeyUNXAIQYUQPCNET-UHFFFAOYSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 124573395
[3-(hydroxymethyl)phenyl]-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95468929
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136517505
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 121134505

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone (CID 121134461) is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone?
The InChIKey is UNXAIQYUQPCNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-23-16-4-2-3-12(9-16)18(22)21-5-6-24-17(11-21)13-7-14(19)10-15(20)8-13/h2-4,7-10,17H,5-6,11H2,1H3.
What are the key properties of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone?
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone has a molecular weight of 366.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 121134461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).