2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide

C14H10F3N3O3 — CID 122143004

IUPAC2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10F3N3O3/c15-8-3-1-7(2-4-8)12(14(18)21)19-13-10(16)5-9(20(22)23)6-11(13)17/h1-6,12,19H,(H2,18,21)
InChIKeyGBYZBYHUPYYQGP-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.65
Rot. Bonds5

About 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide

2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide (PubChem CID 122143004) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
PubChem CID122143004
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10F3N3O3/c15-8-3-1-7(2-4-8)12(14(18)21)19-13-10(16)5-9(20(22)23)6-11(13)17/h1-6,12,19H,(H2,18,21)
InChIKeyGBYZBYHUPYYQGP-UHFFFAOYSA-N
XLogP2.65
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.65
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-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 133476330
methyl 5-[[2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]-2-nitrobenzoate
CID 133476214
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-fluoro-2-nitrobenzamide
CID 97309297
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(4-benzoyl-2-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 133476248
(2S)-2-(2,6-difluoro-4-nitroanilino)-3-methylbutanoic acid
CID 120964334
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
3-N-[1-(4-fluorophenyl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80802455
N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
CID 103828733
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 103828365

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide (CID 122143004) is 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1.
What is the InChIKey of 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
The InChIKey is GBYZBYHUPYYQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-8-3-1-7(2-4-8)12(14(18)21)19-13-10(16)5-9(20(22)23)6-11(13)17/h1-6,12,19H,(H2,18,21).
What are the key properties of 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide?
2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-nitroanilino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 122143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).