1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea

C20H14ClN5O2 — CID 58584571

IUPAC1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C20H14ClN5O2/c21-17-23-18(25-19(27)22-15-8-2-1-3-9-15)26-20(24-17)28-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,22,23,24,25,26,27)
InChIKeyYDBZLQIDUZHENW-UHFFFAOYSA-N
MW391.82 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea

1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea (PubChem CID 58584571) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
PubChem CID58584571
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC Name1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C20H14ClN5O2/c21-17-23-18(25-19(27)22-15-8-2-1-3-9-15)26-20(24-17)28-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,22,23,24,25,26,27)
InChIKeyYDBZLQIDUZHENW-UHFFFAOYSA-N
XLogP5.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.82
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The IUPAC name of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea (CID 58584571) is 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The InChIKey is YDBZLQIDUZHENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c21-17-23-18(25-19(27)22-15-8-2-1-3-9-15)26-20(24-17)28-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,22,23,24,25,26,27).
What are the key properties of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea has a molecular weight of 391.82 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea is sourced from PubChem (CID 58584571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).