2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide

C9H9ClN2O4 — CID 3635564

IUPAC2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9ClN2O4/c1-16-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKeyVXMOZGZTQMIRJA-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide

2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 3635564) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID3635564
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9ClN2O4/c1-16-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
InChIKeyVXMOZGZTQMIRJA-UHFFFAOYSA-N
XLogP1.78
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
1-(4-methoxy-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2732117
Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)-
CID 42394
HC Yellow No. 9
CID 21909544
N-(4-methoxy-2-nitrophenyl)-2-(1-piperidinyl)acetamide
CID 2977497
1-Acetamido-4-benzyloxy-2-nitrobenzene
CID 265888
Acetamide, N-(2-amino-4-ethoxyphenyl)-
CID 105400
N-(4-hydroxy-2-nitrophenyl)acetamide
CID 4024832
Acetamide, N-(4-ethoxy-2-nitrophenyl)-
CID 70170
2-chloro-N-(3-methoxyphenyl)acetamide
CID 28667
2'-Nitro-4'-(trifluoromethoxy)acetanilide
CID 2775771
2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide
CID 2362603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide (CID 3635564) is 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is VXMOZGZTQMIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c1-16-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide?
2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 244.63 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 3635564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).