N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide

C27H25N5O2 — CID 155228953

IUPACN-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(C)c(C)c3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C27H25N5O2/c1-16-10-12-21(14-18(16)3)24(33)30-26-28-23(20-8-6-5-7-9-20)29-27(32-26)31-25(34)22-13-11-17(2)19(4)15-22/h5-15H,1-4H3,(H2,28,29,30,31,32,33,34)
InChIKeyLHRROCZZGDKJNK-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.28
Rot. Bonds5

About N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide

N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide (PubChem CID 155228953) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide
PubChem CID155228953
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(C)c(C)c3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C27H25N5O2/c1-16-10-12-21(14-18(16)3)24(33)30-26-28-23(20-8-6-5-7-9-20)29-27(32-26)31-25(34)22-13-11-17(2)19(4)15-22/h5-15H,1-4H3,(H2,28,29,30,31,32,33,34)
InChIKeyLHRROCZZGDKJNK-UHFFFAOYSA-N
XLogP5.28
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
CID 58849719
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide (CID 155228953) is N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(C)c(C)c3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide?
The InChIKey is LHRROCZZGDKJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-16-10-12-21(14-18(16)3)24(33)30-26-28-23(20-8-6-5-7-9-20)29-27(32-26)31-25(34)22-13-11-17(2)19(4)15-22/h5-15H,1-4H3,(H2,28,29,30,31,32,33,34).
What are the key properties of N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide?
N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide has a molecular weight of 451.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 155228953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).