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

C24H19FN4O2 — CID 53078296

IUPAC4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-21-11-9-20(10-12-21)28-24(30)16-5-7-19(8-6-16)27-22-13-14-26-23(29-22)17-3-2-4-18(25)15-17/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyQDFJYBAZAVEWQD-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.29
Rot. Bonds6

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

4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 53078296) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID53078296
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-21-11-9-20(10-12-21)28-24(30)16-5-7-19(8-6-16)27-22-13-14-26-23(29-22)17-3-2-4-18(25)15-17/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyQDFJYBAZAVEWQD-UHFFFAOYSA-N
XLogP5.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.29
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-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-[(2-chlorophenyl)methyl]-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078306
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 97043915
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
N-cyclohexyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 53006992
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide (CID 53078296) is 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is QDFJYBAZAVEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-31-21-11-9-20(10-12-21)28-24(30)16-5-7-19(8-6-16)27-22-13-14-26-23(29-22)17-3-2-4-18(25)15-17/h2-15H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 414.44 g/mol, XLogP of 5.29, 6 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-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 53078296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).