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

C14H14F3NO — CID 146083494

IUPACN-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide
SMILESCC#CC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-3-5-13(19)18(4-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4,10H2,1-2H3
InChIKeyMCFNPLCMZCCOJQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.08
Rot. Bonds3

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

N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide (PubChem CID 146083494) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide
PubChem CID146083494
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide
SMILESCC#CC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-3-5-13(19)18(4-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4,10H2,1-2H3
InChIKeyMCFNPLCMZCCOJQ-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.08
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

[ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamothioyl]sulfanyl N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamodithioate
CID 176733101
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
CID 62822180
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475
2-[3,3-dimethylbutanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197079
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide?
The IUPAC name of N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide (CID 146083494) is N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide.
What is the SMILES notation for N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide?
The canonical SMILES for N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide is CC#CC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide?
The InChIKey is MCFNPLCMZCCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-5-13(19)18(4-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4,10H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide?
N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide has a molecular weight of 269.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide is sourced from PubChem (CID 146083494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).