N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide

C24H22FN3O4 — CID 57348887

IUPACN-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(NCC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H22FN3O4/c1-15-6-5-7-16(2)22(15)27-24(30)23(17-10-12-18(13-11-17)28(31)32)26-14-21(29)19-8-3-4-9-20(19)25/h3-13,23,26H,14H2,1-2H3,(H,27,30)
InChIKeyTYHCNQSTCBPABT-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.50
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide

N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide (PubChem CID 57348887) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide
PubChem CID57348887
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)C(NCC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H22FN3O4/c1-15-6-5-7-16(2)22(15)27-24(30)23(17-10-12-18(13-11-17)28(31)32)26-14-21(29)19-8-3-4-9-20(19)25/h3-13,23,26H,14H2,1-2H3,(H,27,30)
InChIKeyTYHCNQSTCBPABT-UHFFFAOYSA-N
XLogP4.50
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(1S)-2-(2,6-dimethylanilino)-1-(3-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 1104140
N-[(1S)-2-(2,6-dimethylanilino)-1-(2-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 31139234
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
CID 3415360
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
CID 60542252
(2S)-N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]-2-(4-nitrophenyl)acetamide
CID 6999320
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)acetamide
CID 3581479
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
CID 50880326

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide (CID 57348887) is N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide is Cc1cccc(C)c1NC(=O)C(NCC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide?
The InChIKey is TYHCNQSTCBPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-15-6-5-7-16(2)22(15)27-24(30)23(17-10-12-18(13-11-17)28(31)32)26-14-21(29)19-8-3-4-9-20(19)25/h3-13,23,26H,14H2,1-2H3,(H,27,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide?
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide has a molecular weight of 435.46 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 57348887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).