2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

C19H13Cl2FN2O2 — CID 71150036

IUPAC2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)
InChIKeyCMKJXIYFWVLQAC-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.42
Rot. Bonds4

About 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (PubChem CID 71150036) has the molecular formula C19H13Cl2FN2O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
PubChem CID71150036
Molecular FormulaC19H13Cl2FN2O2
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)
InChIKeyCMKJXIYFWVLQAC-UHFFFAOYSA-N
XLogP4.42
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (CID 71150036) is 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The InChIKey is CMKJXIYFWVLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26).
What are the key properties of 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide has a molecular weight of 391.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 71150036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).