4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide

C13H13ClN4O3 — CID 62869638

IUPAC4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13ClN4O3/c1-7(2)20-12-16-11(14)17-13(18-12)21-9-5-3-8(4-6-9)10(15)19/h3-7H,1-2H3,(H2,15,19)
InChIKeyBDLYRQFTXYNVED-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.20
Rot. Bonds5

About 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide

4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide (PubChem CID 62869638) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
PubChem CID62869638
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13ClN4O3/c1-7(2)20-12-16-11(14)17-13(18-12)21-9-5-3-8(4-6-9)10(15)19/h3-7H,1-2H3,(H2,15,19)
InChIKeyBDLYRQFTXYNVED-UHFFFAOYSA-N
XLogP2.20
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
4-(4-carbamoylphenoxy)benzamide
CID 156597124
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide?
The IUPAC name of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide (CID 62869638) is 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide.
What is the SMILES notation for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide?
The canonical SMILES for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide is CC(C)Oc1nc(Cl)nc(Oc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide?
The InChIKey is BDLYRQFTXYNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-7(2)20-12-16-11(14)17-13(18-12)21-9-5-3-8(4-6-9)10(15)19/h3-7H,1-2H3,(H2,15,19).
What are the key properties of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide?
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide has a molecular weight of 308.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide is sourced from PubChem (CID 62869638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).