N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C24H19ClN4O — CID 53078235

IUPACN-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1
InChIInChI=1S/C24H19ClN4O/c1-16-2-4-17(5-3-16)23-26-15-14-22(29-23)27-20-10-6-18(7-11-20)24(30)28-21-12-8-19(25)9-13-21/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyJEALQRZPXXJOJQ-UHFFFAOYSA-N
MW414.90 g/mol
LogP6.10
Rot. Bonds5

About N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078235) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078235
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC NameN-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1
InChIInChI=1S/C24H19ClN4O/c1-16-2-4-17(5-3-16)23-26-15-14-22(29-23)27-20-10-6-18(7-11-20)24(30)28-21-12-8-19(25)9-13-21/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyJEALQRZPXXJOJQ-UHFFFAOYSA-N
XLogP6.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 53078235) is N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is JEALQRZPXXJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O/c1-16-2-4-17(5-3-16)23-26-15-14-22(29-23)27-20-10-6-18(7-11-20)24(30)28-21-12-8-19(25)9-13-21/h2-15H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 414.90 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).