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

C18H16Cl2N2O4 — CID 121134505

IUPAC[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16Cl2N2O4/c1-11-2-3-12(8-16(11)22(24)25)18(23)21-4-5-26-17(10-21)13-6-14(19)9-15(20)7-13/h2-3,6-9,17H,4-5,10H2,1H3
InChIKeyXEBZNBLMLKZVGO-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.42
Rot. Bonds3

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

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (PubChem CID 121134505) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
PubChem CID121134505
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16Cl2N2O4/c1-11-2-3-12(8-16(11)22(24)25)18(23)21-4-5-26-17(10-21)13-6-14(19)9-15(20)7-13/h2-3,6-9,17H,4-5,10H2,1H3
InChIKeyXEBZNBLMLKZVGO-UHFFFAOYSA-N
XLogP4.42
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
CID 121134485
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81487374
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
(3-chloro-4-nitrophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 97329067
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
(3-chloro-4-nitrophenyl)-(2-propylmorpholin-4-yl)methanone
CID 75509483
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136
[2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-nitrophenyl)methanone
CID 81208302
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (CID 121134505) is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is Cc1ccc(C(=O)N2CCOC(c3cc(Cl)cc(Cl)c3)C2)cc1[N+](=O)[O-].
What is the InChIKey of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The InChIKey is XEBZNBLMLKZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-11-2-3-12(8-16(11)22(24)25)18(23)21-4-5-26-17(10-21)13-6-14(19)9-15(20)7-13/h2-3,6-9,17H,4-5,10H2,1H3.
What are the key properties of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone has a molecular weight of 395.24 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 121134505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).