2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide

C18H17F3N4O4 — CID 9286571

IUPAC2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O4/c1-24(10-16(26)22-12-5-4-6-13(9-12)25(28)29)11-17(27)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyBKZQSPVPILBRQG-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.12
Rot. Bonds7

About 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide

2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide (PubChem CID 9286571) has the molecular formula C18H17F3N4O4 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
PubChem CID9286571
Molecular FormulaC18H17F3N4O4
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC Name2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O4/c1-24(10-16(26)22-12-5-4-6-13(9-12)25(28)29)11-17(27)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyBKZQSPVPILBRQG-UHFFFAOYSA-N
XLogP3.12
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.12
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-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32679368
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
[2-(3-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503635
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide (CID 9286571) is 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide is CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide?
The InChIKey is BKZQSPVPILBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4/c1-24(10-16(26)22-12-5-4-6-13(9-12)25(28)29)11-17(27)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide?
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide has a molecular weight of 410.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 9286571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).