N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide

C20H17F3N2O2 — CID 90550064

IUPACN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccc(C#CCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c1-25(2)19(27)15-11-9-14(10-12-15)6-5-13-24-18(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-12H,13H2,1-2H3,(H,24,26)
InChIKeyUWPYQCADQHVACL-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.19
Rot. Bonds3

About N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide (PubChem CID 90550064) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide
PubChem CID90550064
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccc(C#CCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O2/c1-25(2)19(27)15-11-9-14(10-12-15)6-5-13-24-18(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-12H,13H2,1-2H3,(H,24,26)
InChIKeyUWPYQCADQHVACL-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90550067
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90550033
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methyl-3-nitrobenzamide
CID 90550059
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
methyl 4-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90549974
4-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553418
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-chlorobenzamide
CID 90549491
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 90550119
4-[3-[(2,6-difluorophenyl)carbamoylamino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90553522
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide (CID 90550064) is N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide is CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide?
The InChIKey is UWPYQCADQHVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-25(2)19(27)15-11-9-14(10-12-15)6-5-13-24-18(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-12H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide?
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide has a molecular weight of 374.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90550064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).