N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C17H15BrN6O — CID 23536377

IUPACN-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(Nc3cccc(Br)c3)n2)c1
InChIInChI=1S/C17H15BrN6O/c1-11(25)21-14-6-3-7-15(9-14)23-17-20-10-19-16(24-17)22-13-5-2-4-12(18)8-13/h2-10H,1H3,(H,21,25)(H2,19,20,22,23,24)
InChIKeyWWKCJFXRRGPMDS-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.08
Rot. Bonds5

About N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 23536377) has the molecular formula C17H15BrN6O and a molecular weight of 399.25 g/mol. Its IUPAC name is N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID23536377
Molecular FormulaC17H15BrN6O
Molecular Weight399.25 g/mol
Exact Mass398.05
IUPAC NameN-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(Nc3cccc(Br)c3)n2)c1
InChIInChI=1S/C17H15BrN6O/c1-11(25)21-14-6-3-7-15(9-14)23-17-20-10-19-16(24-17)22-13-5-2-4-12(18)8-13/h2-10H,1H3,(H,21,25)(H2,19,20,22,23,24)
InChIKeyWWKCJFXRRGPMDS-UHFFFAOYSA-N
XLogP4.08
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45139121
N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 23536377) is N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(Nc3cccc(Br)c3)n2)c1.
What is the InChIKey of N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is WWKCJFXRRGPMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6O/c1-11(25)21-14-6-3-7-15(9-14)23-17-20-10-19-16(24-17)22-13-5-2-4-12(18)8-13/h2-10H,1H3,(H,21,25)(H2,19,20,22,23,24).
What are the key properties of N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 399.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 23536377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).