N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide

C15H9BrFNO — CID 43246939

IUPACN-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,18,19)
InChIKeyBPJZSEPLCBNCDN-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.58
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide

N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide (PubChem CID 43246939) has the molecular formula C15H9BrFNO and a molecular weight of 318.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
PubChem CID43246939
Molecular FormulaC15H9BrFNO
Molecular Weight318.15 g/mol
Exact Mass316.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,18,19)
InChIKeyBPJZSEPLCBNCDN-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.58
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

N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
CID 81003933
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
N-(4-bromo-2-fluorophenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812607
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
CID 61299084
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
CID 132601982
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide (CID 43246939) is N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide?
The InChIKey is BPJZSEPLCBNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide?
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide has a molecular weight of 318.15 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 43246939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).