4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine

C14H18ClN3O4 — CID 2797445

IUPAC4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H18ClN3O4/c15-11-9-14(18(19)20)13(17-3-7-22-8-4-17)10-12(11)16-1-5-21-6-2-16/h9-10H,1-8H2
InChIKeyTYTDPCGMZUDVFZ-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.92
Rot. Bonds3

About 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine

4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine (PubChem CID 2797445) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine
PubChem CID2797445
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Name4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C14H18ClN3O4/c15-11-9-14(18(19)20)13(17-3-7-22-8-4-17)10-12(11)16-1-5-21-6-2-16/h9-10H,1-8H2
InChIKeyTYTDPCGMZUDVFZ-UHFFFAOYSA-N
XLogP1.92
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
HC Yellow no. 10
CID 3621694
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
1,1'-(2-Chloro-4-nitro-1,3-phenylene)dipiperidine
CID 2841163
4-(2-Nitro-5-piperidin-1-ylphenyl)morpholine
CID 2888807
(5-Chloro-2-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 4562974
2-[4-(4-Chloro-2-nitrophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 2867573
2-Chloro-4-nitro-5-(piperidin-1-yl)aniline
CID 3100197
4-Chloro-2-nitro-5-piperidinoaniline
CID 3567990

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine?
The IUPAC name of 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine (CID 2797445) is 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine is O=[N+]([O-])c1cc(Cl)c(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine?
The InChIKey is TYTDPCGMZUDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c15-11-9-14(18(19)20)13(17-3-7-22-8-4-17)10-12(11)16-1-5-21-6-2-16/h9-10H,1-8H2.
What are the key properties of 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine?
4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine has a molecular weight of 327.77 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-morpholin-4-yl-2-nitrophenyl)morpholine is sourced from PubChem (CID 2797445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).