N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

C24H18F2N4O — CID 46331192

IUPACN-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H18F2N4O/c25-19-8-4-16(5-9-19)15-28-24(31)18-2-1-3-21(14-18)29-22-12-13-27-23(30-22)17-6-10-20(26)11-7-17/h1-14H,15H2,(H,28,31)(H,27,29,30)
InChIKeyVCOPYSDGQRJNFP-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.10
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46331192) has the molecular formula C24H18F2N4O and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46331192
Molecular FormulaC24H18F2N4O
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H18F2N4O/c25-19-8-4-16(5-9-19)15-28-24(31)18-2-1-3-21(14-18)29-22-12-13-27-23(30-22)17-6-10-20(26)11-7-17/h1-14H,15H2,(H,28,31)(H,27,29,30)
InChIKeyVCOPYSDGQRJNFP-UHFFFAOYSA-N
XLogP5.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
3-[(2-phenylpyrimidin-4-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46331407
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331360
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (CID 46331192) is N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is O=C(NCc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is VCOPYSDGQRJNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O/c25-19-8-4-16(5-9-19)15-28-24(31)18-2-1-3-21(14-18)29-22-12-13-27-23(30-22)17-6-10-20(26)11-7-17/h1-14H,15H2,(H,28,31)(H,27,29,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 416.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46331192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).