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

C25H21FN4O2 — CID 53078315

IUPAC4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1
InChIInChI=1S/C25H21FN4O2/c1-32-22-7-2-4-17(14-22)16-28-25(31)18-8-10-21(11-9-18)29-23-12-13-27-24(30-23)19-5-3-6-20(26)15-19/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyZRILZBCCPNUGSV-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.96
Rot. Bonds7

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

4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 53078315) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID53078315
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1
InChIInChI=1S/C25H21FN4O2/c1-32-22-7-2-4-17(14-22)16-28-25(31)18-8-10-21(11-9-18)29-23-12-13-27-24(30-23)19-5-3-6-20(26)15-19/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyZRILZBCCPNUGSV-UHFFFAOYSA-N
XLogP4.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
N-[(2-chlorophenyl)methyl]-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078306
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 97043915
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
N-cyclohexyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 53006992
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide (CID 53078315) is 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is ZRILZBCCPNUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-32-22-7-2-4-17(14-22)16-28-25(31)18-8-10-21(11-9-18)29-23-12-13-27-24(30-23)19-5-3-6-20(26)15-19/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).