N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide

C16H10F3NO — CID 3751377

IUPACN-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
SMILESC#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F3NO/c1-2-11-6-8-14(9-7-11)20-15(21)12-4-3-5-13(10-12)16(17,18)19/h1,3-10H,(H,20,21)
InChIKeyWINJEOVJEONGEJ-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.94
Rot. Bonds2

About N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide

N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 3751377) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID3751377
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC NameN-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
SMILESC#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F3NO/c1-2-11-6-8-14(9-7-11)20-15(21)12-4-3-5-13(10-12)16(17,18)19/h1,3-10H,(H,20,21)
InChIKeyWINJEOVJEONGEJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide (CID 3751377) is N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide is C#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WINJEOVJEONGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c1-2-11-6-8-14(9-7-11)20-15(21)12-4-3-5-13(10-12)16(17,18)19/h1,3-10H,(H,20,21).
What are the key properties of N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide?
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 289.26 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3751377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).