N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide

C19H16F3NO — CID 52763877

IUPACN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO/c1-3-11-23(13-15-9-7-14(2)8-10-15)18(24)16-5-4-6-17(12-16)19(20,21)22/h1,4-10,12H,11,13H2,2H3
InChIKeyVXVCXMUGANZFRH-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide

N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide (PubChem CID 52763877) 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-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
PubChem CID52763877
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO/c1-3-11-23(13-15-9-7-14(2)8-10-15)18(24)16-5-4-6-17(12-16)19(20,21)22/h1,4-10,12H,11,13H2,2H3
InChIKeyVXVCXMUGANZFRH-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-2-(trifluoromethyl)benzamide
CID 52764442
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698385
N-[(4-fluorophenyl)methyl]-N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539040
[4-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3664211
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
4-(2-cyanoethylsulfamoyl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylbenzamide
CID 48532822
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide (CID 52763877) is N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide is C#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide?
The InChIKey is VXVCXMUGANZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-3-11-23(13-15-9-7-14(2)8-10-15)18(24)16-5-4-6-17(12-16)19(20,21)22/h1,4-10,12H,11,13H2,2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide?
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(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-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 52763877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).