N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide

C19H16F3NO2 — CID 15181391

IUPACN-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1cccc(C#Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO2/c1-13(23(25)14(2)24)17-5-3-4-16(12-17)7-6-15-8-10-18(11-9-15)19(20,21)22/h3-5,8-13,25H,1-2H3
InChIKeyZTYQTXYGKMYWMI-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.40
Rot. Bonds2

About N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide

N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide (PubChem CID 15181391) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide
PubChem CID15181391
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC NameN-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1cccc(C#Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO2/c1-13(23(25)14(2)24)17-5-3-4-16(12-17)7-6-15-8-10-18(11-9-15)19(20,21)22/h3-5,8-13,25H,1-2H3
InChIKeyZTYQTXYGKMYWMI-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide (CID 15181391) is N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide is CC(=O)N(O)C(C)c1cccc(C#Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide?
The InChIKey is ZTYQTXYGKMYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-13(23(25)14(2)24)17-5-3-4-16(12-17)7-6-15-8-10-18(11-9-15)19(20,21)22/h3-5,8-13,25H,1-2H3.
What are the key properties of N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide?
N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 15181391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).