3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide

C24H23ClF3N3O — CID 126572748

IUPAC3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)c1ncncc1-c1cc(C(=O)NC(C)(CF)C(F)F)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClF3N3O/c1-14(2)21-20(11-29-13-30-21)17-8-16(15-4-6-19(25)7-5-15)9-18(10-17)22(32)31-24(3,12-26)23(27)28/h4-11,13-14,23H,12H2,1-3H3,(H,31,32)
InChIKeyNZCVDOIUCMEIAJ-UHFFFAOYSA-N
MW461.92 g/mol
LogP6.31
Rot. Bonds7

About 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide

3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide (PubChem CID 126572748) has the molecular formula C24H23ClF3N3O and a molecular weight of 461.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide
PubChem CID126572748
Molecular FormulaC24H23ClF3N3O
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC Name3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)c1ncncc1-c1cc(C(=O)NC(C)(CF)C(F)F)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClF3N3O/c1-14(2)21-20(11-29-13-30-21)17-8-16(15-4-6-19(25)7-5-15)9-18(10-17)22(32)31-24(3,12-26)23(27)28/h4-11,13-14,23H,12H2,1-3H3,(H,31,32)
InChIKeyNZCVDOIUCMEIAJ-UHFFFAOYSA-N
XLogP6.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
CID 126572686
N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
CID 126572774
N-(2-cyanopropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyanopropan-2-yl)-3-(4-propan-2-ylpyrimidin-5-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
CID 126572738
2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 166683088
N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
CID 138636753
N-tert-butyl-2-(4-methyl-3-phosphanylphenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 166683091
2-bromo-N-tert-butyl-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 129078641
3-(4-chlorophenyl)-N-(3,3-difluoro-2-methylbutan-2-yl)-5-methylbenzamide
CID 145257658
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
CID 138636702
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 110002777
N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
CID 126572802
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide (CID 126572748) is 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide is CC(C)c1ncncc1-c1cc(C(=O)NC(C)(CF)C(F)F)cc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide?
The InChIKey is NZCVDOIUCMEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O/c1-14(2)21-20(11-29-13-30-21)17-8-16(15-4-6-19(25)7-5-15)9-18(10-17)22(32)31-24(3,12-26)23(27)28/h4-11,13-14,23H,12H2,1-3H3,(H,31,32).
What are the key properties of 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide?
3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide has a molecular weight of 461.92 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 126572748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).