N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C18H14F3NO — CID 51332685

IUPACN-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC#Cc1ccccc1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)16-10-8-15(9-11-16)13-17(23)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,22,23)
InChIKeyRPCWVLSEUBNWQV-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.42
Rot. Bonds3

About N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51332685) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51332685
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC NameN-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC#Cc1ccccc1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)16-10-8-15(9-11-16)13-17(23)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,22,23)
InChIKeyRPCWVLSEUBNWQV-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.42
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

2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454
2-(3-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550585
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-(3-phenylprop-2-ynyl)-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]urea
CID 154862461
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 32735659
3-(4-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 24630505
1-benzyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553760
N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 51332685) is N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCC#Cc1ccccc1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RPCWVLSEUBNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c19-18(20,21)16-10-8-15(9-11-16)13-17(23)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,22,23).
What are the key properties of N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51332685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).