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

C25H21ClN4O — CID 46327066

IUPACN-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)c1
InChIInChI=1S/C25H21ClN4O/c1-16-5-3-6-18(11-16)23-14-24(28-15-27-23)29-20-8-4-7-19(12-20)25(31)30-21-10-9-17(2)22(26)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyMXEJXZLTFUSNGT-UHFFFAOYSA-N
MW428.92 g/mol
LogP6.41
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327066) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327066
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)c1
InChIInChI=1S/C25H21ClN4O/c1-16-5-3-6-18(11-16)23-14-24(28-15-27-23)29-20-8-4-7-19(12-20)25(31)30-21-10-9-17(2)22(26)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyMXEJXZLTFUSNGT-UHFFFAOYSA-N
XLogP6.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327207
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-[6-(3,4-dichloroanilino)pyrimidin-4-yl]benzamide
CID 46703969
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92870064
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870057

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46327066) is N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is MXEJXZLTFUSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c1-16-5-3-6-18(11-16)23-14-24(28-15-27-23)29-20-8-4-7-19(12-20)25(31)30-21-10-9-17(2)22(26)13-21/h3-15H,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 428.92 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).