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

C14H11ClFN3O3 — CID 133476330

IUPAC2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3O3/c15-11-7-10(19(21)22)5-6-12(11)18-13(14(17)20)8-1-3-9(16)4-2-8/h1-7,13,18H,(H2,17,20)
InChIKeyJYFFLICTYAGDBD-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.03
Rot. Bonds5

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

2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide (PubChem CID 133476330) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
PubChem CID133476330
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Name2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3O3/c15-11-7-10(19(21)22)5-6-12(11)18-13(14(17)20)8-1-3-9(16)4-2-8/h1-7,13,18H,(H2,17,20)
InChIKeyJYFFLICTYAGDBD-UHFFFAOYSA-N
XLogP3.03
TPSA98.26 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 ≤ 53.03
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-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 122143004
(2S)-2-(2-chloro-4-nitroanilino)-4-methylpentanamide
CID 102502036
3-(2-chloro-4-nitroanilino)butanamide
CID 115647560
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
2-(2-chloro-4-nitroanilino)-1-(4-fluorophenyl)ethanone
CID 110825396
(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 3455489
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
2-(2-chloro-4-nitroanilino)-2-thiophen-2-ylacetic acid
CID 115284467
2-(2-chloro-4-nitroanilino)-4-methylpentanoic acid
CID 55133626
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-N-(2-chloro-4-nitrophenyl)propane-1,2-diamine
CID 63731096
1,1,2-trichloro-N,N'-bis(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 20980486

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide (CID 133476330) is 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The InChIKey is JYFFLICTYAGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-11-7-10(19(21)22)5-6-12(11)18-13(14(17)20)8-1-3-9(16)4-2-8/h1-7,13,18H,(H2,17,20).
What are the key properties of 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide has a molecular weight of 323.71 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).