morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone

C18H15F3N2O5 — CID 2900925

IUPACmorpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C18H15F3N2O5/c19-18(20,21)13-4-5-16(15(11-13)23(25)26)28-14-3-1-2-12(10-14)17(24)22-6-8-27-9-7-22/h1-5,10-11H,6-9H2
InChIKeyNSNNCMPNNOGJHI-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.88
Rot. Bonds4

About morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone

morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone (PubChem CID 2900925) has the molecular formula C18H15F3N2O5 and a molecular weight of 396.32 g/mol. Its IUPAC name is morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
PubChem CID2900925
Molecular FormulaC18H15F3N2O5
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC Namemorpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C18H15F3N2O5/c19-18(20,21)13-4-5-16(15(11-13)23(25)26)28-14-3-1-2-12(10-14)17(24)22-6-8-27-9-7-22/h1-5,10-11H,6-9H2
InChIKeyNSNNCMPNNOGJHI-UHFFFAOYSA-N
XLogP3.88
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-piperidin-1-ylmethanone
CID 132771528
(3-methoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3434822
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 22780684
3-[2-nitro-4-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 38113196
N-(4-methoxyphenyl)-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 1250349
1-(3-benzhydrylphenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 173321598
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112
1-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
CID 170864800
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464
4-[(Z)-1-cyano-2-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]ethenyl]benzoic acid
CID 2235333

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone (CID 2900925) is morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone is O=C(c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone?
The InChIKey is NSNNCMPNNOGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O5/c19-18(20,21)13-4-5-16(15(11-13)23(25)26)28-14-3-1-2-12(10-14)17(24)22-6-8-27-9-7-22/h1-5,10-11H,6-9H2.
What are the key properties of morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone?
morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone has a molecular weight of 396.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone is sourced from PubChem (CID 2900925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).