2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide

C14H10ClFN2O4 — CID 8579924

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClFN2O4/c15-12-7-11(5-6-13(12)16)22-8-14(19)17-9-1-3-10(4-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyYLLLLPMVUAYQIY-UHFFFAOYSA-N
MW324.70 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide (PubChem CID 8579924) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
PubChem CID8579924
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClFN2O4/c15-12-7-11(5-6-13(12)16)22-8-14(19)17-9-1-3-10(4-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyYLLLLPMVUAYQIY-UHFFFAOYSA-N
XLogP3.40
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 53.40
H-Bond Donors ≤ 51
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

N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide (CID 8579924) is 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide?
The InChIKey is YLLLLPMVUAYQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c15-12-7-11(5-6-13(12)16)22-8-14(19)17-9-1-3-10(4-2-9)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide has a molecular weight of 324.70 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8579924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).