N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide

C26H28BrF3N4O2 — CID 10099449

IUPACN-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCC(c1nc(C(F)(F)F)cc(=O)n1Cc1ccccc1)N(CCN(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C26H28BrF3N4O2/c1-4-21(33(15-14-32(2)3)25(36)19-10-12-20(27)13-11-19)24-31-22(26(28,29)30)16-23(35)34(24)17-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15,17H2,1-3H3
InChIKeyIJXYAKUUSUCWLC-UHFFFAOYSA-N
MW565.43 g/mol
LogP5.23
Rot. Bonds9

About N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide

N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 10099449) has the molecular formula C26H28BrF3N4O2 and a molecular weight of 565.43 g/mol. Its IUPAC name is N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID10099449
Molecular FormulaC26H28BrF3N4O2
Molecular Weight565.43 g/mol
Exact Mass564.13
IUPAC NameN-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCC(c1nc(C(F)(F)F)cc(=O)n1Cc1ccccc1)N(CCN(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C26H28BrF3N4O2/c1-4-21(33(15-14-32(2)3)25(36)19-10-12-20(27)13-11-19)24-31-22(26(28,29)30)16-23(35)34(24)17-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15,17H2,1-3H3
InChIKeyIJXYAKUUSUCWLC-UHFFFAOYSA-N
XLogP5.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide (CID 10099449) is N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide is CCC(c1nc(C(F)(F)F)cc(=O)n1Cc1ccccc1)N(CCN(C)C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is IJXYAKUUSUCWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrF3N4O2/c1-4-21(33(15-14-32(2)3)25(36)19-10-12-20(27)13-11-19)24-31-22(26(28,29)30)16-23(35)34(24)17-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15,17H2,1-3H3.
What are the key properties of N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide?
N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 565.43 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-benzyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 10099449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).