4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide

C21H19ClN2O2 — CID 1315623

IUPAC4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-11-15(2)23-20(12-14)24-21(25)17-9-7-16(8-10-17)13-26-19-6-4-3-5-18(19)22/h3-12H,13H2,1-2H3,(H,23,24,25)
InChIKeyASCMALAQEXFXOO-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.18
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 1315623) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID1315623
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-11-15(2)23-20(12-14)24-21(25)17-9-7-16(8-10-17)13-26-19-6-4-3-5-18(19)22/h3-12H,13H2,1-2H3,(H,23,24,25)
InChIKeyASCMALAQEXFXOO-UHFFFAOYSA-N
XLogP5.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide (CID 1315623) is 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide is Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is ASCMALAQEXFXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14-11-15(2)23-20(12-14)24-21(25)17-9-7-16(8-10-17)13-26-19-6-4-3-5-18(19)22/h3-12H,13H2,1-2H3,(H,23,24,25).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 366.85 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1315623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).