N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide

C25H21N3O2 — CID 46386476

IUPACN-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C25H21N3O2/c1-17-8-13-21(16-18(17)2)27-25(29)20-11-9-19(10-12-20)24-26-15-14-23(28-24)30-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,27,29)
InChIKeyNNLMLSWJWUXVKG-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.81
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide

N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide (PubChem CID 46386476) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
PubChem CID46386476
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C25H21N3O2/c1-17-8-13-21(16-18(17)2)27-25(29)20-11-9-19(10-12-20)24-26-15-14-23(28-24)30-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,27,29)
InChIKeyNNLMLSWJWUXVKG-UHFFFAOYSA-N
XLogP5.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide (CID 46386476) is N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The InChIKey is NNLMLSWJWUXVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-8-13-21(16-18(17)2)27-25(29)20-11-9-19(10-12-20)24-26-15-14-23(28-24)30-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide is sourced from PubChem (CID 46386476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).