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

C12H14ClN3O4 — CID 2082921

IUPACN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)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)
InChIKeyHEZMJXOBCDXLTA-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.52
Rot. Bonds4

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

N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide (PubChem CID 2082921) has the molecular formula C12H14ClN3O4 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide
PubChem CID2082921
Molecular FormulaC12H14ClN3O4
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)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)
InChIKeyHEZMJXOBCDXLTA-UHFFFAOYSA-N
XLogP1.52
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

Acetanilide, 2-morpholino-2',4',6'-trichloro-
CID 49949
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2088142
2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2091880
[2-(2-Chloro-5-nitroanilino)-2-oxoethyl] propanoate
CID 2357144
4-Morpholineacetamide, N-(4-chlorophenyl)-
CID 758548
2-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 2867387
N-(2,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 735642
N-(2-chlorophenyl)-2-morpholin-4-ylacetamide
CID 963431
[2-(2-Chloro-5-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 2642069
N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 4202544

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide (CID 2082921) is N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is HEZMJXOBCDXLTA-UHFFFAOYSA-N. 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).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide?
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 299.71 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2082921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).