N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C15H17F3N4O4 — CID 9277149

IUPACN-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17F3N4O4/c16-15(17,18)10-3-4-11(12(8-10)22(25)26)19-5-6-20-13(23)9-21-7-1-2-14(21)24/h3-4,8,19H,1-2,5-7,9H2,(H,20,23)
InChIKeyIXQNGNSXCGVJIZ-UHFFFAOYSA-N
MW374.32 g/mol
LogP1.76
Rot. Bonds7

About N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9277149) has the molecular formula C15H17F3N4O4 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9277149
Molecular FormulaC15H17F3N4O4
Molecular Weight374.32 g/mol
Exact Mass374.12
IUPAC NameN-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17F3N4O4/c16-15(17,18)10-3-4-11(12(8-10)22(25)26)19-5-6-20-13(23)9-21-7-1-2-14(21)24/h3-4,8,19H,1-2,5-7,9H2,(H,20,23)
InChIKeyIXQNGNSXCGVJIZ-UHFFFAOYSA-N
XLogP1.76
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
2-(4-fluorophenyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]acetamide
CID 9276976
N-[2-(methylamino)ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 119501915
tert-butyl N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 2795746
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 9276937
2-(4-fluorophenoxy)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]acetamide
CID 9277134
N-[2-(ethylamino)ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide;hydrochloride
CID 119506796
2-(4-methylphenoxy)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]acetamide
CID 9012223
(3S)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-phenylbutanamide
CID 9277077
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24504795
1-methyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 9277201
3-[2-nitro-4-(trifluoromethyl)anilino]-1-piperazin-1-ylpropan-1-one
CID 119401775

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9277149) is N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is IXQNGNSXCGVJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O4/c16-15(17,18)10-3-4-11(12(8-10)22(25)26)19-5-6-20-13(23)9-21-7-1-2-14(21)24/h3-4,8,19H,1-2,5-7,9H2,(H,20,23).
What are the key properties of N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 374.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9277149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).