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

C25H21ClN4O — CID 53078243

IUPACN-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)n2)cc1
InChIInChI=1S/C25H21ClN4O/c1-17-6-8-18(9-7-17)24-27-15-14-23(30-24)29-21-12-10-19(11-13-21)25(31)28-16-20-4-2-3-5-22(20)26/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyPUVWXRMEWDHTNX-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.78
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078243) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078243
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)n2)cc1
InChIInChI=1S/C25H21ClN4O/c1-17-6-8-18(9-7-17)24-27-15-14-23(30-24)29-21-12-10-19(11-13-21)25(31)28-16-20-4-2-3-5-22(20)26/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyPUVWXRMEWDHTNX-UHFFFAOYSA-N
XLogP5.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078306
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
ethyl 4-[[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112891859
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 53078243) is N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is PUVWXRMEWDHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c1-17-6-8-18(9-7-17)24-27-15-14-23(30-24)29-21-12-10-19(11-13-21)25(31)28-16-20-4-2-3-5-22(20)26/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 428.92 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).