N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide

C15H9BrClNO — CID 81271695

IUPACN-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H9BrClNO/c16-13-8-7-12(17)10-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,18,19)
InChIKeyFQTKUXYWFCOXGL-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.09
Rot. Bonds1

About N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide

N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide (PubChem CID 81271695) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
PubChem CID81271695
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H9BrClNO/c16-13-8-7-12(17)10-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,18,19)
InChIKeyFQTKUXYWFCOXGL-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.09
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-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
CID 132601982
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide (CID 81271695) is N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide?
The InChIKey is FQTKUXYWFCOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-13-8-7-12(17)10-14(13)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-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide?
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide has a molecular weight of 334.60 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 81271695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).