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

C16H19F3N2O2 — CID 2519375

IUPACN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c1-21(16(23)10-5-3-2-4-6-10)9-13(22)20-12-8-7-11(17)14(18)15(12)19/h7-8,10H,2-6,9H2,1H3,(H,20,22)
InChIKeyYWXGCKQJKSKBHK-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.08
Rot. Bonds4

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

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide (PubChem CID 2519375) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide
PubChem CID2519375
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c1-21(16(23)10-5-3-2-4-6-10)9-13(22)20-12-8-7-11(17)14(18)15(12)19/h7-8,10H,2-6,9H2,1H3,(H,20,22)
InChIKeyYWXGCKQJKSKBHK-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.08
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

6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Leucinamide
CID 445369
(R)-2-(4-fluoro-3-methylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582964
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
1-(Phenylamino)cyclohexane-1-carboxamide
CID 1264884
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
N-(Trifluoroacetyl)-L-Valyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 445372
N-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539523
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648348
1-ethyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768121

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide (CID 2519375) is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is YWXGCKQJKSKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-21(16(23)10-5-3-2-4-6-10)9-13(22)20-12-8-7-11(17)14(18)15(12)19/h7-8,10H,2-6,9H2,1H3,(H,20,22).
What are the key properties of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide?
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.08, 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]cyclohexanecarboxamide is sourced from PubChem (CID 2519375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).