N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide

C16H9BrF3NO — CID 132601982

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C16H9BrF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,21,22)
InChIKeyHKGLIKKXXQAMCL-UHFFFAOYSA-N
MW368.15 g/mol
LogP4.46
Rot. Bonds1

About N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide (PubChem CID 132601982) has the molecular formula C16H9BrF3NO and a molecular weight of 368.15 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
PubChem CID132601982
Molecular FormulaC16H9BrF3NO
Molecular Weight368.15 g/mol
Exact Mass366.98
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C16H9BrF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,21,22)
InChIKeyHKGLIKKXXQAMCL-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 54.46
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-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
CID 156695258
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
3-[2-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoylamino]phenoxy]benzoic acid
CID 23122298
3-hydroxy-4-(3-phenylprop-2-ynoylamino)benzoic acid
CID 60825032
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide
CID 162358113
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide (CID 132601982) is N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide?
The InChIKey is HKGLIKKXXQAMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,(H,21,22).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide has a molecular weight of 368.15 g/mol, XLogP of 4.46, 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-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 132601982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).