2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide

C9H9ClN2O4 — CID 2362603

IUPAC2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCl
InChIInChI=1S/C9H9ClN2O4/c1-16-8-3-2-6(12(14)15)4-7(8)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13)
InChIKeyFCDAGNIVHLUJRM-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide

2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 2362603) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID2362603
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCl
InChIInChI=1S/C9H9ClN2O4/c1-16-8-3-2-6(12(14)15)4-7(8)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13)
InChIKeyFCDAGNIVHLUJRM-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide (CID 2362603) is 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is FCDAGNIVHLUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c1-16-8-3-2-6(12(14)15)4-7(8)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-(2-methoxy-5-nitrophenyl)acetamide?
2-chloro-N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 2362603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).