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

C25H21FN4O2 — CID 53078203

IUPAC4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C25H21FN4O2/c1-32-22-12-2-17(3-13-22)16-28-25(31)19-6-10-21(11-7-19)29-23-14-15-27-24(30-23)18-4-8-20(26)9-5-18/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyANNOBHSTIBXGED-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.96
Rot. Bonds7

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

4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 53078203) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID53078203
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C25H21FN4O2/c1-32-22-12-2-17(3-13-22)16-28-25(31)19-6-10-21(11-7-19)29-23-14-15-27-24(30-23)18-4-8-20(26)9-5-18/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyANNOBHSTIBXGED-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

4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53078315
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 97043915
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide (CID 53078203) is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is ANNOBHSTIBXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-32-22-12-2-17(3-13-22)16-28-25(31)19-6-10-21(11-7-19)29-23-14-15-27-24(30-23)18-4-8-20(26)9-5-18/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide?
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-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-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53078203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).