(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone

C17H15ClN2O4 — CID 16894667

IUPAC(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O4/c18-13-6-7-15(20(22)23)14(10-13)17(21)19-8-9-24-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyXSJWQMFXIFIDMA-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.46
Rot. Bonds3

About (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone

(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894667) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894667
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O4/c18-13-6-7-15(20(22)23)14(10-13)17(21)19-8-9-24-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyXSJWQMFXIFIDMA-UHFFFAOYSA-N
XLogP3.46
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.46
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

(5-methylsulfanyl-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 134040047
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 46579200
(5-chloro-2-nitrophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62974499
(5-chloro-2-nitrophenyl)-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)methanone
CID 121191876
(5-chloro-2-nitrophenyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 1220180
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917930
(5-chloro-2-nitrophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611698
(3-chloro-4-methylpiperidin-1-yl)-(5-chloro-2-nitrophenyl)methanone
CID 102961536
(5-chloro-2-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900209
(5-chloro-2-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581677

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894667) is (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC(c2ccccc2)C1.
What is the InChIKey of (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is XSJWQMFXIFIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-13-6-7-15(20(22)23)14(10-13)17(21)19-8-9-24-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2.
What are the key properties of (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone?
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 346.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).