[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone

C17H15ClN2O5 — CID 1280540

IUPAC[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C17H15ClN2O5/c18-14-2-1-3-15(20(22)23)16(14)25-13-6-4-12(5-7-13)17(21)19-8-10-24-11-9-19/h1-7H,8-11H2
InChIKeyLLPSGXUCLFDPJU-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.51
Rot. Bonds4

About [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone

[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone (PubChem CID 1280540) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone
PubChem CID1280540
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C17H15ClN2O5/c18-14-2-1-3-15(20(22)23)16(14)25-13-6-4-12(5-7-13)17(21)19-8-10-24-11-9-19/h1-7H,8-11H2
InChIKeyLLPSGXUCLFDPJU-UHFFFAOYSA-N
XLogP3.51
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.51
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

(3-chloro-4-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 82780556
1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
CID 107717274
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
[4-(4-chlorophenoxy)-3-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 2743488
(3,4-dichloro-5-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62059401
4-(2-chloro-6-nitrophenoxy)-N-(2,4-dimethylphenyl)benzamide
CID 2233892
azepan-1-yl-[4-(2-chloro-4-nitrophenoxy)phenyl]methanone
CID 1313575
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 2900925
(4-chlorophenyl) 4-(2-chloro-6-nitrophenoxy)benzenesulfonate
CID 2797610
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone (CID 1280540) is [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone?
The InChIKey is LLPSGXUCLFDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c18-14-2-1-3-15(20(22)23)16(14)25-13-6-4-12(5-7-13)17(21)19-8-10-24-11-9-19/h1-7H,8-11H2.
What are the key properties of [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone?
[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone has a molecular weight of 362.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).