N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide

C14H10Cl2FN3O3 — CID 26438778

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H10Cl2FN3O3/c15-10-3-2-9(6-13(10)20(22)23)18-7-14(21)19-12-4-1-8(17)5-11(12)16/h1-6,18H,7H2,(H,19,21)
InChIKeyAMNSWKGVTKQWRS-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.09
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide

N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide (PubChem CID 26438778) has the molecular formula C14H10Cl2FN3O3 and a molecular weight of 358.16 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
PubChem CID26438778
Molecular FormulaC14H10Cl2FN3O3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H10Cl2FN3O3/c15-10-3-2-9(6-13(10)20(22)23)18-7-14(21)19-12-4-1-8(17)5-11(12)16/h1-6,18H,7H2,(H,19,21)
InChIKeyAMNSWKGVTKQWRS-UHFFFAOYSA-N
XLogP4.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.09
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-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 26416052
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438803
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
CID 18283322
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-3-nitroanilino)acetamide
CID 55365204
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide (CID 26438778) is N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide is O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The InChIKey is AMNSWKGVTKQWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O3/c15-10-3-2-9(6-13(10)20(22)23)18-7-14(21)19-12-4-1-8(17)5-11(12)16/h1-6,18H,7H2,(H,19,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide has a molecular weight of 358.16 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide is sourced from PubChem (CID 26438778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).