(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide

C25H23F2N7O — CID 41284487

IUPAC(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Nc2nc(Nc3ccccc3F)nc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C25H23F2N7O/c1-15-11-13-17(14-12-15)29-22(35)16(2)28-23-32-24(30-20-9-5-3-7-18(20)26)34-25(33-23)31-21-10-6-4-8-19(21)27/h3-14,16H,1-2H3,(H,29,35)(H3,28,30,31,32,33,34)/t16-/m1/s1
InChIKeyLKHFGEUFYYOQDG-MRXNPFEDSA-N
MW475.50 g/mol
LogP5.38
Rot. Bonds8

About (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide

(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide (PubChem CID 41284487) has the molecular formula C25H23F2N7O and a molecular weight of 475.50 g/mol. Its IUPAC name is (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide
PubChem CID41284487
Molecular FormulaC25H23F2N7O
Molecular Weight475.50 g/mol
Exact Mass475.19
IUPAC Name(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Nc2nc(Nc3ccccc3F)nc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C25H23F2N7O/c1-15-11-13-17(14-12-15)29-22(35)16(2)28-23-32-24(30-20-9-5-3-7-18(20)26)34-25(33-23)31-21-10-6-4-8-19(21)27/h3-14,16H,1-2H3,(H,29,35)(H3,28,30,31,32,33,34)/t16-/m1/s1
InChIKeyLKHFGEUFYYOQDG-MRXNPFEDSA-N
XLogP5.38
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 41284480
(2S)-N-benzyl-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]propanamide
CID 41284505
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
(2R)-2-[[4,6-bis(3,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 41284516
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 41263728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide (CID 41284487) is (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Nc2nc(Nc3ccccc3F)nc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide?
The InChIKey is LKHFGEUFYYOQDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23F2N7O/c1-15-11-13-17(14-12-15)29-22(35)16(2)28-23-32-24(30-20-9-5-3-7-18(20)26)34-25(33-23)31-21-10-6-4-8-19(21)27/h3-14,16H,1-2H3,(H,29,35)(H3,28,30,31,32,33,34)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide?
(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide has a molecular weight of 475.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 41284487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).