2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

C10H13F3N2O — CID 70812911

IUPAC2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCNCC(=O)NC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O/c1-14-6-9(16)15-8-4-2-3-7(5-8)10(11,12)13/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKeyNEHNQZDLFXGSBI-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.14
Rot. Bonds3

About 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 70812911) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID70812911
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCNCC(=O)NC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O/c1-14-6-9(16)15-8-4-2-3-7(5-8)10(11,12)13/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKeyNEHNQZDLFXGSBI-UHFFFAOYSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 126732342
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
2-[[(4E,5Z,8Z,10E)-4-ethylidene-9,11-difluoro-8-methyldodeca-5,8,10-trien-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 135265860
(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
CID 142156936
ethane;N-[(2S,3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-yl]-2,2,2-trifluoroacetamide
CID 142861213
2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane
CID 143897088
ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide
CID 144753386
(E)-N-cyclohexa-2,4-dien-1-yl-6,6,6-trifluoro-2,3-bis(methylamino)hex-2-enamide
CID 144906370
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorocyclohexa-1,5-dien-1-yl)propanamide
CID 145077823

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (CID 70812911) is 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is CNCC(=O)NC1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is NEHNQZDLFXGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-14-6-9(16)15-8-4-2-3-7(5-8)10(11,12)13/h2-4,8,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 234.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 70812911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).