(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C17H14ClFN2O4 — CID 46579200

IUPAC(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14ClFN2O4/c18-12-3-6-14(15(9-12)21(23)24)17(22)20-7-8-25-16(10-20)11-1-4-13(19)5-2-11/h1-6,9,16H,7-8,10H2
InChIKeyIHDOGJHYDFSCTL-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.60
Rot. Bonds3

About (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 46579200) has the molecular formula C17H14ClFN2O4 and a molecular weight of 364.76 g/mol. Its IUPAC name is (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID46579200
Molecular FormulaC17H14ClFN2O4
Molecular Weight364.76 g/mol
Exact Mass364.06
IUPAC Name(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14ClFN2O4/c18-12-3-6-14(15(9-12)21(23)24)17(22)20-7-8-25-16(10-20)11-1-4-13(19)5-2-11/h1-6,9,16H,7-8,10H2
InChIKeyIHDOGJHYDFSCTL-UHFFFAOYSA-N
XLogP3.60
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.60
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-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
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
(5-chloro-1-benzofuran-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044267
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(4-chloro-2-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671006
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
(4-chloro-2-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427493
[2-(4-fluorophenyl)morpholin-4-yl]-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 55585139
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 46579200) is (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is IHDOGJHYDFSCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4/c18-12-3-6-14(15(9-12)21(23)24)17(22)20-7-8-25-16(10-20)11-1-4-13(19)5-2-11/h1-6,9,16H,7-8,10H2.
What are the key properties of (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 364.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 46579200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).