N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide

C15H17F3N2O2 — CID 2534365

IUPACN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC1
InChIInChI=1S/C15H17F3N2O2/c1-20(15(22)9-4-2-3-5-9)8-12(21)19-11-7-6-10(16)13(17)14(11)18/h6-7,9H,2-5,8H2,1H3,(H,19,21)
InChIKeyPWSUHRSMRCABSF-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide (PubChem CID 2534365) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
PubChem CID2534365
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC1
InChIInChI=1S/C15H17F3N2O2/c1-20(15(22)9-4-2-3-5-9)8-12(21)19-11-7-6-10(16)13(17)14(11)18/h6-7,9H,2-5,8H2,1H3,(H,19,21)
InChIKeyPWSUHRSMRCABSF-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4875130
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119682416
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958265
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
1-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpiperidine-3-carboxamide
CID 55556172

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide (CID 2534365) is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide?
The InChIKey is PWSUHRSMRCABSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-20(15(22)9-4-2-3-5-9)8-12(21)19-11-7-6-10(16)13(17)14(11)18/h6-7,9H,2-5,8H2,1H3,(H,19,21).
What are the key properties of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide?
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 2534365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).