N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide

C16H12ClFN2O4 — CID 18541397

IUPACN-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)C[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C16H12ClFN2O4/c17-14-8-12(5-6-13(14)15(21)9-20(23)24)19-16(22)7-10-1-3-11(18)4-2-10/h1-6,8H,7,9H2,(H,19,22)
InChIKeyXQSTUWOVKPJMIU-UHFFFAOYSA-N
MW350.73 g/mol
LogP3.12
Rot. Bonds6

About N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide

N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 18541397) has the molecular formula C16H12ClFN2O4 and a molecular weight of 350.73 g/mol. Its IUPAC name is N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID18541397
Molecular FormulaC16H12ClFN2O4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC NameN-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)C[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C16H12ClFN2O4/c17-14-8-12(5-6-13(14)15(21)9-20(23)24)19-16(22)7-10-1-3-11(18)4-2-10/h1-6,8H,7,9H2,(H,19,22)
InChIKeyXQSTUWOVKPJMIU-UHFFFAOYSA-N
XLogP3.12
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 53.12
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-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
N,N'-bis[3-chloro-4-(2-nitroacetyl)phenyl]-3-phenylpentanediamide
CID 18541422
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 172548040
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)acetamide
CID 26561646
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide (CID 18541397) is N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)C[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XQSTUWOVKPJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O4/c17-14-8-12(5-6-13(14)15(21)9-20(23)24)19-16(22)7-10-1-3-11(18)4-2-10/h1-6,8H,7,9H2,(H,19,22).
What are the key properties of N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 350.73 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-nitroacetyl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18541397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).