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

C25H21ClN4O2 — CID 58716815

IUPAC4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)c(C)c1
InChIInChI=1S/C25H21ClN4O2/c1-16-15-21(32-2)11-12-22(16)29-24(31)18-5-9-20(10-6-18)28-25-27-14-13-23(30-25)17-3-7-19(26)8-4-17/h3-15H,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyGOLAHTMJCBKPAR-UHFFFAOYSA-N
MW444.92 g/mol
LogP6.11
Rot. Bonds6

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

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide (PubChem CID 58716815) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
PubChem CID58716815
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)c(C)c1
InChIInChI=1S/C25H21ClN4O2/c1-16-15-21(32-2)11-12-22(16)29-24(31)18-5-9-20(10-6-18)28-25-27-14-13-23(30-25)17-3-7-19(26)8-4-17/h3-15H,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyGOLAHTMJCBKPAR-UHFFFAOYSA-N
XLogP6.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
2-N-(4-chloro-2-methylphenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092938
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-[(7-chloroquinolin-4-yl)amino]-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71656594
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
5-fluoro-N-[4-[2-(4-methoxyanilino)pyrimidin-4-yl]phenyl]-1H-indole-2-carboxamide
CID 44525485
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide (CID 58716815) is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)c(C)c1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide?
The InChIKey is GOLAHTMJCBKPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-16-15-21(32-2)11-12-22(16)29-24(31)18-5-9-20(10-6-18)28-25-27-14-13-23(30-25)17-3-7-19(26)8-4-17/h3-15H,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide?
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide has a molecular weight of 444.92 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 58716815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).