2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide

C14H10ClIN2O4 — CID 35942555

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H10ClIN2O4/c15-10-7-9(18(20)21)5-6-13(10)22-8-14(19)17-12-4-2-1-3-11(12)16/h1-7H,8H2,(H,17,19)
InChIKeyAAWFKHFRCWTOOO-UHFFFAOYSA-N
MW432.60 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide (PubChem CID 35942555) has the molecular formula C14H10ClIN2O4 and a molecular weight of 432.60 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
PubChem CID35942555
Molecular FormulaC14H10ClIN2O4
Molecular Weight432.60 g/mol
Exact Mass431.94
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H10ClIN2O4/c15-10-7-9(18(20)21)5-6-13(10)22-8-14(19)17-12-4-2-1-3-11(12)16/h1-7H,8H2,(H,17,19)
InChIKeyAAWFKHFRCWTOOO-UHFFFAOYSA-N
XLogP3.87
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide (CID 35942555) is 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1I.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide?
The InChIKey is AAWFKHFRCWTOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O4/c15-10-7-9(18(20)21)5-6-13(10)22-8-14(19)17-12-4-2-1-3-11(12)16/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide has a molecular weight of 432.60 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 35942555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).