N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H10F4N2O3 — CID 18190867

IUPACN-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H10F4N2O3/c16-12-5-4-11(21(23)24)8-13(12)20-14(22)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2,(H,20,22)
InChIKeyULQVRYPMPYFBPL-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.93
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18190867) has the molecular formula C15H10F4N2O3 and a molecular weight of 342.25 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18190867
Molecular FormulaC15H10F4N2O3
Molecular Weight342.25 g/mol
Exact Mass342.06
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H10F4N2O3/c16-12-5-4-11(21(23)24)8-13(12)20-14(22)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2,(H,20,22)
InChIKeyULQVRYPMPYFBPL-UHFFFAOYSA-N
XLogP3.93
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55507980
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840305
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 4024306
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064816
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 18190867) is N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ULQVRYPMPYFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3/c16-12-5-4-11(21(23)24)8-13(12)20-14(22)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2,(H,20,22).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18190867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).