N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

C25H21FN4O — CID 108808510

IUPACN-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H21FN4O/c1-17-28-23(19-6-3-2-4-7-19)15-24(29-17)30-22-9-5-8-20(14-22)25(31)27-16-18-10-12-21(26)13-11-18/h2-15H,16H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyCPNMPEOMKRCXJJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.26
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 108808510) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID108808510
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H21FN4O/c1-17-28-23(19-6-3-2-4-7-19)15-24(29-17)30-22-9-5-8-20(14-22)25(31)27-16-18-10-12-21(26)13-11-18/h2-15H,16H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyCPNMPEOMKRCXJJ-UHFFFAOYSA-N
XLogP5.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 108797154
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
N-[(2-chlorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797150
N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
methyl 3-[[6-[(4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369929
N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797262
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (CID 108808510) is N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is Cc1nc(Nc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is CPNMPEOMKRCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-17-28-23(19-6-3-2-4-7-19)15-24(29-17)30-22-9-5-8-20(14-22)25(31)27-16-18-10-12-21(26)13-11-18/h2-15H,16H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.26, 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-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 108808510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).