2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide

C21H13Cl2N3O2 — CID 142992627

IUPAC2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2c(Cl)cccc2Cl)nc1Oc1ccc2ccccc2c1
InChIInChI=1S/C21H13Cl2N3O2/c22-16-6-3-7-17(23)18(16)20-25-11-15(19(24)27)21(26-20)28-14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H2,24,27)
InChIKeyRCRCZQAWJAKVRB-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.49
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide

2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide (PubChem CID 142992627) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide
PubChem CID142992627
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2c(Cl)cccc2Cl)nc1Oc1ccc2ccccc2c1
InChIInChI=1S/C21H13Cl2N3O2/c22-16-6-3-7-17(23)18(16)20-25-11-15(19(24)27)21(26-20)28-14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H2,24,27)
InChIKeyRCRCZQAWJAKVRB-UHFFFAOYSA-N
XLogP5.49
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide (CID 142992627) is 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide is NC(=O)c1cnc(-c2c(Cl)cccc2Cl)nc1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide?
The InChIKey is RCRCZQAWJAKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-16-6-3-7-17(23)18(16)20-25-11-15(19(24)27)21(26-20)28-14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H2,24,27).
What are the key properties of 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide?
2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide has a molecular weight of 410.26 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-naphthalen-2-yloxypyrimidine-5-carboxamide is sourced from PubChem (CID 142992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).