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

C20H19ClN4O2 — CID 174227613

IUPAC4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide
SMILESCOc1nc(-c2cccc(C(C)C)c2)nc(-c2cc(C(N)=O)ccc2Cl)n1
InChIInChI=1S/C20H19ClN4O2/c1-11(2)12-5-4-6-14(9-12)18-23-19(25-20(24-18)27-3)15-10-13(17(22)26)7-8-16(15)21/h4-11H,1-3H3,(H2,22,26)
InChIKeyWQTHVYVTRWBXPV-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.09
Rot. Bonds5

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

4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide (PubChem CID 174227613) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide
PubChem CID174227613
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide
SMILESCOc1nc(-c2cccc(C(C)C)c2)nc(-c2cc(C(N)=O)ccc2Cl)n1
InChIInChI=1S/C20H19ClN4O2/c1-11(2)12-5-4-6-14(9-12)18-23-19(25-20(24-18)27-3)15-10-13(17(22)26)7-8-16(15)21/h4-11H,1-3H3,(H2,22,26)
InChIKeyWQTHVYVTRWBXPV-UHFFFAOYSA-N
XLogP4.09
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide (CID 174227613) is 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide is COc1nc(-c2cccc(C(C)C)c2)nc(-c2cc(C(N)=O)ccc2Cl)n1.
What is the InChIKey of 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide?
The InChIKey is WQTHVYVTRWBXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-11(2)12-5-4-6-14(9-12)18-23-19(25-20(24-18)27-3)15-10-13(17(22)26)7-8-16(15)21/h4-11H,1-3H3,(H2,22,26).
What are the key properties of 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide?
4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-methoxy-6-(3-propan-2-ylphenyl)-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 174227613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).