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

C17H14Cl2N2O4 — CID 121134485

IUPAC[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H14Cl2N2O4/c18-13-7-12(8-14(19)9-13)16-10-20(5-6-25-16)17(22)11-1-3-15(4-2-11)21(23)24/h1-4,7-9,16H,5-6,10H2
InChIKeyXSOIOJRDWHVWOG-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.12
Rot. Bonds3

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

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone (PubChem CID 121134485) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
PubChem CID121134485
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H14Cl2N2O4/c18-13-7-12(8-14(19)9-13)16-10-20(5-6-25-16)17(22)11-1-3-15(4-2-11)21(23)24/h1-4,7-9,16H,5-6,10H2
InChIKeyXSOIOJRDWHVWOG-UHFFFAOYSA-N
XLogP4.12
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.12
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-methyl-3-nitrophenyl)methanone
CID 121134505
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
methyl 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-5-nitrobenzoate
CID 55947888
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone (CID 121134485) is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone?
The InChIKey is XSOIOJRDWHVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c18-13-7-12(8-14(19)9-13)16-10-20(5-6-25-16)17(22)11-1-3-15(4-2-11)21(23)24/h1-4,7-9,16H,5-6,10H2.
What are the key properties of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone?
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone has a molecular weight of 381.22 g/mol, XLogP of 4.12, 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-nitrophenyl)methanone is sourced from PubChem (CID 121134485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).