2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

C20H17ClN2O2 — CID 71150163

IUPAC2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-13-3-2-4-17(21)19(13)20(25)23-12-14-5-7-15(8-6-14)16-9-10-22-18(24)11-16/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRGVVJYOVGIKMLY-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.93
Rot. Bonds4

About 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (PubChem CID 71150163) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
PubChem CID71150163
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-13-3-2-4-17(21)19(13)20(25)23-12-14-5-7-15(8-6-14)16-9-10-22-18(24)11-16/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRGVVJYOVGIKMLY-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (CID 71150163) is 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is Cc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The InChIKey is RGVVJYOVGIKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-13-3-2-4-17(21)19(13)20(25)23-12-14-5-7-15(8-6-14)16-9-10-22-18(24)11-16/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide has a molecular weight of 352.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 71150163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).