[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone

C13H15ClN2O5 — CID 104784771

IUPAC[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C13H15ClN2O5/c1-20-12-6-9(16(18)19)2-3-11(12)13(17)15-4-5-21-10(7-14)8-15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyUQRBLCHYFCSDFD-UHFFFAOYSA-N
MW314.72 g/mol
LogP1.68
Rot. Bonds4

About [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone (PubChem CID 104784771) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.72 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
PubChem CID104784771
Molecular FormulaC13H15ClN2O5
Molecular Weight314.72 g/mol
Exact Mass314.07
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C13H15ClN2O5/c1-20-12-6-9(16(18)19)2-3-11(12)13(17)15-4-5-21-10(7-14)8-15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyUQRBLCHYFCSDFD-UHFFFAOYSA-N
XLogP1.68
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)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

[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
[3-(chloromethyl)pyrrolidin-1-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104784734
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104784767
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methoxy-4-nitrophenyl)methanone
CID 114680210
(2-methoxy-4-nitrophenyl)-piperidin-1-ylmethanone
CID 68540547
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
(2-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
(3-bromo-4-methylpiperidin-1-yl)-(2-methoxy-4-nitrophenyl)methanone
CID 102962370
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
methyl 2-[4-(4-nitro-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetate
CID 79765325
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone (CID 104784771) is [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone is COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone?
The InChIKey is UQRBLCHYFCSDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-20-12-6-9(16(18)19)2-3-11(12)13(17)15-4-5-21-10(7-14)8-15/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone has a molecular weight of 314.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone is sourced from PubChem (CID 104784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).