(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

C17H15ClN2O4 — CID 2891495

IUPAC(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H15ClN2O4/c18-13-3-1-12(2-4-13)17(21)15-11-14(20(22)23)5-6-16(15)19-7-9-24-10-8-19/h1-6,11H,7-10H2
InChIKeyGVYLCXRTLQJTFX-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.32
Rot. Bonds4

About (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 2891495) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID2891495
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H15ClN2O4/c18-13-3-1-12(2-4-13)17(21)15-11-14(20(22)23)5-6-16(15)19-7-9-24-10-8-19/h1-6,11H,7-10H2
InChIKeyGVYLCXRTLQJTFX-UHFFFAOYSA-N
XLogP3.32
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 2891495) is (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is GVYLCXRTLQJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-13-3-1-12(2-4-13)17(21)15-11-14(20(22)23)5-6-16(15)19-7-9-24-10-8-19/h1-6,11H,7-10H2.
What are the key properties of (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
(4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 346.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 2891495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).