4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide

C24H16ClF3N4O — CID 58396163

IUPAC4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C24H16ClF3N4O/c25-20-8-3-15(23(33)32-18-6-4-17(5-7-18)24(26,27)28)12-16(20)13-22-19(2-1-10-30-22)21-9-11-29-14-31-21/h1-12,14H,13H2,(H,32,33)
InChIKeyCMRYIMYYWJEPHF-UHFFFAOYSA-N
MW468.87 g/mol
LogP6.05
Rot. Bonds5

About 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide

4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58396163) has the molecular formula C24H16ClF3N4O and a molecular weight of 468.87 g/mol. Its IUPAC name is 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58396163
Molecular FormulaC24H16ClF3N4O
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC Name4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C24H16ClF3N4O/c25-20-8-3-15(23(33)32-18-6-4-17(5-7-18)24(26,27)28)12-16(20)13-22-19(2-1-10-30-22)21-9-11-29-14-31-21/h1-12,14H,13H2,(H,32,33)
InChIKeyCMRYIMYYWJEPHF-UHFFFAOYSA-N
XLogP6.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.87
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-Bisanilinopyrimidine, 10
CID 44139710
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
Aminoquinazoline amide, 35
CID 25138148
Bisanilinopyrimidine, 6p
CID 70702144
Bisanilinopyrimidine, 9m
CID 70702160
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
Cgp-53716
CID 9864718
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
6-(2,6-dichlorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327893
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
CID 11316850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide (CID 58396163) is 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cc2ncccc2-c2ccncn2)c1.
What is the InChIKey of 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CMRYIMYYWJEPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O/c25-20-8-3-15(23(33)32-18-6-4-17(5-7-18)24(26,27)28)12-16(20)13-22-19(2-1-10-30-22)21-9-11-29-14-31-21/h1-12,14H,13H2,(H,32,33).
What are the key properties of 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide?
4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.87 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58396163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).