N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide

C18H13F3N2O2 — CID 170672306

IUPACN-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESNC(=O)CNC(=O)C#Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)15-10-12(7-9-17(25)23-11-16(22)24)6-8-14(15)13-4-2-1-3-5-13/h1-6,8,10H,11H2,(H2,22,24)(H,23,25)
InChIKeyZLCZTJDXHSCZHJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.33
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide

N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide (PubChem CID 170672306) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide
PubChem CID170672306
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC NameN-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide
SMILESNC(=O)CNC(=O)C#Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)15-10-12(7-9-17(25)23-11-16(22)24)6-8-14(15)13-4-2-1-3-5-13/h1-6,8,10H,11H2,(H2,22,24)(H,23,25)
InChIKeyZLCZTJDXHSCZHJ-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 169162550
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 170672232
methyl 3-[3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynoylamino]benzoate
CID 169162649
3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynal
CID 169162699
1-[3-hydroxy-3-(hydroxymethyl)azetidin-1-yl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-yn-1-one
CID 170672249
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
CID 126622264
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
3-(3-chlorophenyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-ynamide
CID 68945575
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545
carbanide;methylcyclopropane;[4-methyl-1-[4-phenyl-3-(trifluoromethyl)phenyl]hex-1-yn-3-ylidene]vanadium;propylcyclopropane
CID 169162571

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide (CID 170672306) is N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide is NC(=O)CNC(=O)C#Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide?
The InChIKey is ZLCZTJDXHSCZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)15-10-12(7-9-17(25)23-11-16(22)24)6-8-14(15)13-4-2-1-3-5-13/h1-6,8,10H,11H2,(H2,22,24)(H,23,25).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide?
N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide has a molecular weight of 346.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynamide is sourced from PubChem (CID 170672306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).