N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide

C16H11ClFN3O — CID 69177163

IUPACN-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c2cc(-c3ccc(F)cc3)ncc2n1
InChIInChI=1S/C16H11ClFN3O/c1-9(22)20-16-7-13(17)12-6-14(19-8-15(12)21-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,20,21,22)
InChIKeyISWGWTXDWPBOTD-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.05
Rot. Bonds2

About N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide

N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide (PubChem CID 69177163) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide
PubChem CID69177163
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC NameN-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c2cc(-c3ccc(F)cc3)ncc2n1
InChIInChI=1S/C16H11ClFN3O/c1-9(22)20-16-7-13(17)12-6-14(19-8-15(12)21-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,20,21,22)
InChIKeyISWGWTXDWPBOTD-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide?
The IUPAC name of N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide (CID 69177163) is N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide.
What is the SMILES notation for N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide?
The canonical SMILES for N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide is CC(=O)Nc1cc(Cl)c2cc(-c3ccc(F)cc3)ncc2n1.
What is the InChIKey of N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide?
The InChIKey is ISWGWTXDWPBOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c1-9(22)20-16-7-13(17)12-6-14(19-8-15(12)21-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide?
N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide has a molecular weight of 315.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(4-fluorophenyl)-1,7-naphthyridin-2-yl]acetamide is sourced from PubChem (CID 69177163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).