N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide

C12H10F3NO — CID 146585049

IUPACN-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO/c1-3-4-11(17)16(2)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-2H3
InChIKeyRJIVFLGKRHRALC-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.69
Rot. Bonds1

About N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide

N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide (PubChem CID 146585049) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
PubChem CID146585049
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC NameN-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO/c1-3-4-11(17)16(2)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-2H3
InChIKeyRJIVFLGKRHRALC-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
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2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide
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N,N-dimethyl-4-(trifluoromethyl)aniline
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N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
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N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
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tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
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N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
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CID 43114424

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide?
The IUPAC name of N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide (CID 146585049) is N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide.
What is the SMILES notation for N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide?
The canonical SMILES for N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide is CC#CC(=O)N(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide?
The InChIKey is RJIVFLGKRHRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-3-4-11(17)16(2)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-2H3.
What are the key properties of N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide?
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide has a molecular weight of 241.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide is sourced from PubChem (CID 146585049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).