(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone

C11H11ClN2O4 — CID 789210

IUPAC(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H11ClN2O4/c12-8-1-2-9(10(7-8)14(16)17)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2
InChIKeyMTHNSFLMWKYCOG-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.72
Rot. Bonds2

About (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone

(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone (PubChem CID 789210) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone
PubChem CID789210
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H11ClN2O4/c12-8-1-2-9(10(7-8)14(16)17)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2
InChIKeyMTHNSFLMWKYCOG-UHFFFAOYSA-N
XLogP1.72
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.72
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

4-chloro-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
CID 755229
N,N-dibutyl-5-chloro-2-nitrobenzamide
CID 1741603
4-chloro-N,N-dimethyl-2-nitrobenzamide
CID 789186
N-benzyl-4-chloro-N-ethyl-2-nitrobenzamide
CID 789142
(2-Morpholin-4-yl-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2096562
4-chloro-N-(morpholin-4-yl)-2-nitrobenzamide
CID 5106276
4-chloro-N-[2-(4-morpholinyl)ethyl]-2-nitrobenzamide
CID 743667
(4-Chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 2891495
(4-(3-Chlorophenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
CID 26365758
4-chloro-2-nitro-N-(2-phenylethyl)benzamide
CID 694542
N-benzyl-4-chloro-2-nitrobenzamide
CID 789173
4-chloro-N-(4-chlorobenzyl)-2-nitrobenzamide
CID 808178

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone (CID 789210) is (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone is O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone?
The InChIKey is MTHNSFLMWKYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-8-1-2-9(10(7-8)14(16)17)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2.
What are the key properties of (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone?
(4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone has a molecular weight of 270.67 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-nitrophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 789210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).