N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide

C18H16FN3O2 — CID 176914610

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cnccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12(13-2-4-15(19)5-3-13)21-17(23)11-22-9-7-14-10-20-8-6-16(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyXMBFQNLLTILLDI-LBPRGKRZSA-N
MW325.34 g/mol
LogP2.41
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide (PubChem CID 176914610) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
PubChem CID176914610
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cnccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12(13-2-4-15(19)5-3-13)21-17(23)11-22-9-7-14-10-20-8-6-16(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyXMBFQNLLTILLDI-LBPRGKRZSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(8-oxo-1,7-naphthyridin-7-yl)acetamide
CID 176914609
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4786938
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95185758
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 95900120

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide (CID 176914610) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide is C[C@H](NC(=O)Cn1ccc2cnccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide?
The InChIKey is XMBFQNLLTILLDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(13-2-4-15(19)5-3-13)21-17(23)11-22-9-7-14-10-20-8-6-16(14)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide is sourced from PubChem (CID 176914610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).