N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide

C14H14F3N5O2 — CID 121137596

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
SMILESCOc1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N(C)C)n1
InChIInChI=1S/C14H14F3N5O2/c1-22(2)13-19-9(20-14(21-13)24-3)6-18-12(23)7-4-5-8(15)11(17)10(7)16/h4-5H,6H2,1-3H3,(H,18,23)
InChIKeyGCBWFXRLDJHJNQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.29
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide (PubChem CID 121137596) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
PubChem CID121137596
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
SMILESCOc1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N(C)C)n1
InChIInChI=1S/C14H14F3N5O2/c1-22(2)13-19-9(20-14(21-13)24-3)6-18-12(23)7-4-5-8(15)11(17)10(7)16/h4-5H,6H2,1-3H3,(H,18,23)
InChIKeyGCBWFXRLDJHJNQ-UHFFFAOYSA-N
XLogP1.29
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide 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

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122252982
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122253028
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopentanecarboxamide
CID 122252863
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide (CID 121137596) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide is COc1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The InChIKey is GCBWFXRLDJHJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-22(2)13-19-9(20-14(21-13)24-3)6-18-12(23)7-4-5-8(15)11(17)10(7)16/h4-5H,6H2,1-3H3,(H,18,23).
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide has a molecular weight of 341.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 121137596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).