N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide

C19H16F3NO — CID 52764442

IUPACN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3NO/c1-3-12-23(13-15-10-8-14(2)9-11-15)18(24)16-6-4-5-7-17(16)19(20,21)22/h1,4-11H,12-13H2,2H3
InChIKeyZOFXTHQKKCIVGI-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide

N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide (PubChem CID 52764442) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
PubChem CID52764442
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3NO/c1-3-12-23(13-15-10-8-14(2)9-11-15)18(24)16-6-4-5-7-17(16)19(20,21)22/h1,4-11H,12-13H2,2H3
InChIKeyZOFXTHQKKCIVGI-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.29
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

N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
CID 52763877
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
4-bromo-N-ethyl-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 113352643
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
N-(3-chloro-2-methylphenyl)sulfonyl-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 14157400
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
CID 24629694
2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284869
N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 59800755
1-prop-2-ynyl-1-(2,3,3-trichloroprop-2-enyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 23452705
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide (CID 52764442) is N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide is C#CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
The InChIKey is ZOFXTHQKKCIVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-3-12-23(13-15-10-8-14(2)9-11-15)18(24)16-6-4-5-7-17(16)19(20,21)22/h1,4-11H,12-13H2,2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide?
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide has a molecular weight of 331.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 52764442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).