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

C15H18ClN5O3 — CID 122252893

IUPAC5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1nc(CNC(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(16)5-6-11(10)23-3/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyRJZZBXPTLAEAPB-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.54
Rot. Bonds6

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

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 122252893) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
PubChem CID122252893
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1nc(CNC(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(16)5-6-11(10)23-3/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyRJZZBXPTLAEAPB-UHFFFAOYSA-N
XLogP1.54
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122252982
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
CID 122253963
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide (CID 122252893) is 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide is COc1nc(CNC(=O)c2cc(Cl)ccc2OC)nc(N(C)C)n1.
What is the InChIKey of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is RJZZBXPTLAEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(16)5-6-11(10)23-3/h5-7H,8H2,1-4H3,(H,17,22).
What are the key properties of 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 351.79 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 122252893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).