3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide

C20H18F3NO — CID 24630505

IUPAC3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
SMILESCc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3NO/c1-15-7-9-16(10-8-15)11-12-19(25)24-13-3-5-17-4-2-6-18(14-17)20(21,22)23/h2,4,6-10,14H,11-13H2,1H3,(H,24,25)
InChIKeyRPTKGJYTCSJTSB-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.11
Rot. Bonds4

About 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide

3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide (PubChem CID 24630505) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
PubChem CID24630505
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
SMILESCc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F3NO/c1-15-7-9-16(10-8-15)11-12-19(25)24-13-3-5-17-4-2-6-18(14-17)20(21,22)23/h2,4,6-10,14H,11-13H2,1H3,(H,24,25)
InChIKeyRPTKGJYTCSJTSB-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.11
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

3-(4-cyanophenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31872414
2-(3-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550585
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550577
4-chloro-N-[3-oxo-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]propyl]benzamide
CID 24686021
1-(3-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553743
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 112826368
1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 32735659
1-(2-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553780
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31871907
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 110892280

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide (CID 24630505) is 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide is Cc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide?
The InChIKey is RPTKGJYTCSJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-15-7-9-16(10-8-15)11-12-19(25)24-13-3-5-17-4-2-6-18(14-17)20(21,22)23/h2,4,6-10,14H,11-13H2,1H3,(H,24,25).
What are the key properties of 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide?
3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide has a molecular weight of 345.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide is sourced from PubChem (CID 24630505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).