N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

C24H18ClFN4O — CID 46327334

IUPACN-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C24H18ClFN4O/c25-19-7-1-16(2-8-19)14-27-24(31)18-5-11-21(12-6-18)30-23-13-22(28-15-29-23)17-3-9-20(26)10-4-17/h1-13,15H,14H2,(H,27,31)(H,28,29,30)
InChIKeyKQXLJXMDAWEKKZ-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.61
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327334) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327334
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C24H18ClFN4O/c25-19-7-1-16(2-8-19)14-27-24(31)18-5-11-21(12-6-18)30-23-13-22(28-15-29-23)17-3-9-20(26)10-4-17/h1-13,15H,14H2,(H,27,31)(H,28,29,30)
InChIKeyKQXLJXMDAWEKKZ-UHFFFAOYSA-N
XLogP5.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
N-(3-ethoxypropyl)-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783831
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-phenylbutan-2-yl)benzamide
CID 46327336
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (CID 46327334) is N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is KQXLJXMDAWEKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c25-19-7-1-16(2-8-19)14-27-24(31)18-5-11-21(12-6-18)30-23-13-22(28-15-29-23)17-3-9-20(26)10-4-17/h1-13,15H,14H2,(H,27,31)(H,28,29,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 432.89 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).