(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H17ClN2O4 — CID 115930981

IUPAC(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H17ClN2O4/c1-3-10-8-21-9(2)7-16(10)14(18)11-5-4-6-12(13(11)15)17(19)20/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZCYBDAMRHCMHAM-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.89
Rot. Bonds3

About (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 115930981) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID115930981
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H17ClN2O4/c1-3-10-8-21-9(2)7-16(10)14(18)11-5-4-6-12(13(11)15)17(19)20/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZCYBDAMRHCMHAM-UHFFFAOYSA-N
XLogP2.89
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.89
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'}

Analyze (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103800414
(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
(2-chloro-3-nitrophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 115931366
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(2-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958547
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494
(2-chloro-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 112576207
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 115930981) is (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is ZCYBDAMRHCMHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-3-10-8-21-9(2)7-16(10)14(18)11-5-4-6-12(13(11)15)17(19)20/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 312.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 115930981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).