N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C25H21BrN4O — CID 46327362

IUPACN-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(Br)c(C)c4)cc3)ncn2)cc1
InChIInChI=1S/C25H21BrN4O/c1-16-3-5-18(6-4-16)23-14-24(28-15-27-23)29-20-9-7-19(8-10-20)25(31)30-21-11-12-22(26)17(2)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyTWMQWWOFCAEQNN-UHFFFAOYSA-N
MW473.37 g/mol
LogP6.52
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327362) has the molecular formula C25H21BrN4O and a molecular weight of 473.37 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327362
Molecular FormulaC25H21BrN4O
Molecular Weight473.37 g/mol
Exact Mass472.09
IUPAC NameN-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(Br)c(C)c4)cc3)ncn2)cc1
InChIInChI=1S/C25H21BrN4O/c1-16-3-5-18(6-4-16)23-14-24(28-15-27-23)29-20-9-7-19(8-10-20)25(31)30-21-11-12-22(26)17(2)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyTWMQWWOFCAEQNN-UHFFFAOYSA-N
XLogP6.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098851
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46327362) is N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(Br)c(C)c4)cc3)ncn2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is TWMQWWOFCAEQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O/c1-16-3-5-18(6-4-16)23-14-24(28-15-27-23)29-20-9-7-19(8-10-20)25(31)30-21-11-12-22(26)17(2)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 473.37 g/mol, XLogP of 6.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).