2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide

C24H18F2N4O — CID 108736855

IUPAC2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H18F2N4O/c1-15-27-22(16-6-3-2-4-7-16)14-23(28-15)29-18-8-5-9-19(13-18)30-24(31)20-12-17(25)10-11-21(20)26/h2-14H,1H3,(H,30,31)(H,27,28,29)
InChIKeySBWGEWUEQPTJAV-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.73
Rot. Bonds5

About 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide

2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 108736855) has the molecular formula C24H18F2N4O and a molecular weight of 416.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID108736855
Molecular FormulaC24H18F2N4O
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H18F2N4O/c1-15-27-22(16-6-3-2-4-7-16)14-23(28-15)29-18-8-5-9-19(13-18)30-24(31)20-12-17(25)10-11-21(20)26/h2-14H,1H3,(H,30,31)(H,27,28,29)
InChIKeySBWGEWUEQPTJAV-UHFFFAOYSA-N
XLogP5.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
3-bromo-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108736842
N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-propan-2-ylbenzamide
CID 108736802
2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108759716
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108759708
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide (CID 108736855) is 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1nc(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is SBWGEWUEQPTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O/c1-15-27-22(16-6-3-2-4-7-16)14-23(28-15)29-18-8-5-9-19(13-18)30-24(31)20-12-17(25)10-11-21(20)26/h2-14H,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide?
2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 416.43 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 108736855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).