N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H16BrF3N2O2 — CID 39613963

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrF3N2O2/c1-16(2,11-3-6-13(18)7-4-11)22-14(24)10-23-9-12(17(19,20)21)5-8-15(23)25/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyBBCRHNWYMIHOHP-UHFFFAOYSA-N
MW417.23 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 39613963) has the molecular formula C17H16BrF3N2O2 and a molecular weight of 417.23 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID39613963
Molecular FormulaC17H16BrF3N2O2
Molecular Weight417.23 g/mol
Exact Mass416.03
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrF3N2O2/c1-16(2,11-3-6-13(18)7-4-11)22-14(24)10-23-9-12(17(19,20)21)5-8-15(23)25/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyBBCRHNWYMIHOHP-UHFFFAOYSA-N
XLogP3.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 39613963) is N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BBCRHNWYMIHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O2/c1-16(2,11-3-6-13(18)7-4-11)22-14(24)10-23-9-12(17(19,20)21)5-8-15(23)25/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 417.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 39613963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).