N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide

C16H12FNO — CID 6464666

IUPACN-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C16H12FNO/c17-15-9-5-4-8-14(15)12-18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,12H2,(H,18,19)
InChIKeyXIUBKBYLJHNXFI-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.49
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide

N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide (PubChem CID 6464666) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
PubChem CID6464666
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC NameN-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C16H12FNO/c17-15-9-5-4-8-14(15)12-18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,12H2,(H,18,19)
InChIKeyXIUBKBYLJHNXFI-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide (CID 6464666) is N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide?
The InChIKey is XIUBKBYLJHNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-15-9-5-4-8-14(15)12-18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,12H2,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide?
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide has a molecular weight of 253.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 6464666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).