2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide

C16H13F2N3O4 — CID 84587040

IUPAC2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13F2N3O4/c17-11-6-5-10(7-12(11)18)8-15(22)19-9-16(23)20-13-3-1-2-4-14(13)21(24)25/h1-7H,8-9H2,(H,19,22)(H,20,23)
InChIKeyHWJQRYWPUJVFMM-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.17
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide

2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide (PubChem CID 84587040) has the molecular formula C16H13F2N3O4 and a molecular weight of 349.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide
PubChem CID84587040
Molecular FormulaC16H13F2N3O4
Molecular Weight349.29 g/mol
Exact Mass349.09
IUPAC Name2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13F2N3O4/c17-11-6-5-10(7-12(11)18)8-15(22)19-9-16(23)20-13-3-1-2-4-14(13)21(24)25/h1-7H,8-9H2,(H,19,22)(H,20,23)
InChIKeyHWJQRYWPUJVFMM-UHFFFAOYSA-N
XLogP2.17
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.17
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'}

Analyze 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
[2-(2-nitroanilino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667082
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 51146120
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
(4-chlorophenyl)methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7104104
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
CID 7585343
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide (CID 84587040) is 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide is O=C(Cc1ccc(F)c(F)c1)NCC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide?
The InChIKey is HWJQRYWPUJVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4/c17-11-6-5-10(7-12(11)18)8-15(22)19-9-16(23)20-13-3-1-2-4-14(13)21(24)25/h1-7H,8-9H2,(H,19,22)(H,20,23).
What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide?
2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide has a molecular weight of 349.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 84587040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).