N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide

C12H15ClN3O4+ — CID 2082920

IUPACN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O4/c13-10-2-1-9(16(18)19)7-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)/p+1
InChIKeyHEZMJXOBCDXLTA-UHFFFAOYSA-O
MW300.72 g/mol
LogP0.10
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide

N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2082920) has the molecular formula C12H15ClN3O4+ and a molecular weight of 300.72 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID2082920
Molecular FormulaC12H15ClN3O4+
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O4/c13-10-2-1-9(16(18)19)7-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)/p+1
InChIKeyHEZMJXOBCDXLTA-UHFFFAOYSA-O
XLogP0.10
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 50.10
H-Bond Donors ≤ 52
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

2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903916
N-(2-chloro-5-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 7815371
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
1-(2-chloro-5-nitrophenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea
CID 8564132
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
5-(2-chloro-5-nitroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156159
1-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134349

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide (CID 2082920) is N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is HEZMJXOBCDXLTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14ClN3O4/c13-10-2-1-9(16(18)19)7-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)/p+1.
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 300.72 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2082920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).