N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide

C17H18ClFN2O2 — CID 3231739

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C)cn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C17H18ClFN2O2/c1-3-5-16(22)20-15-8-11(2)9-21(17(15)23)10-12-13(18)6-4-7-14(12)19/h4,6-9H,3,5,10H2,1-2H3,(H,20,22)
InChIKeyABJVUMCRCQLBAF-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.74
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide (PubChem CID 3231739) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide
PubChem CID3231739
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C)cn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C17H18ClFN2O2/c1-3-5-16(22)20-15-8-11(2)9-21(17(15)23)10-12-13(18)6-4-7-14(12)19/h4,6-9H,3,5,10H2,1-2H3,(H,20,22)
InChIKeyABJVUMCRCQLBAF-UHFFFAOYSA-N
XLogP3.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide (CID 3231739) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide is CCCC(=O)Nc1cc(C)cn(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide?
The InChIKey is ABJVUMCRCQLBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-3-5-16(22)20-15-8-11(2)9-21(17(15)23)10-12-13(18)6-4-7-14(12)19/h4,6-9H,3,5,10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide has a molecular weight of 336.79 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]butanamide is sourced from PubChem (CID 3231739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).