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

C14H11ClFN3O3 — CID 9099675

IUPAC2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClFN3O3/c15-9-1-6-13(12(16)7-9)17-8-14(20)18-10-2-4-11(5-3-10)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeyMWUDYLSXMFTWAB-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.44
Rot. Bonds5

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

2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide (PubChem CID 9099675) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
PubChem CID9099675
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClFN3O3/c15-9-1-6-13(12(16)7-9)17-8-14(20)18-10-2-4-11(5-3-10)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeyMWUDYLSXMFTWAB-UHFFFAOYSA-N
XLogP3.44
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
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

2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
CID 55919142
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
CID 86829368
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
N-(4-chloro-2-methylphenyl)-4-(4-nitroanilino)butanamide
CID 36664825

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide (CID 9099675) is 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide is O=C(CNc1ccc(Cl)cc1F)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide?
The InChIKey is MWUDYLSXMFTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-9-1-6-13(12(16)7-9)17-8-14(20)18-10-2-4-11(5-3-10)19(21)22/h1-7,17H,8H2,(H,18,20).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide?
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide has a molecular weight of 323.71 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).