3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one

C14H14ClF2NO3 — CID 153451355

IUPAC3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
SMILESCOCOc1cc(F)c(C2=CCC(Cl)C(=O)N2C)c(F)c1
InChIInChI=1S/C14H14ClF2NO3/c1-18-12(4-3-9(15)14(18)19)13-10(16)5-8(6-11(13)17)21-7-20-2/h4-6,9H,3,7H2,1-2H3
InChIKeySGHRMZPVRUNLSN-UHFFFAOYSA-N
MW317.72 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one

3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451355) has the molecular formula C14H14ClF2NO3 and a molecular weight of 317.72 g/mol. Its IUPAC name is 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
PubChem CID153451355
Molecular FormulaC14H14ClF2NO3
Molecular Weight317.72 g/mol
Exact Mass317.06
IUPAC Name3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
SMILESCOCOc1cc(F)c(C2=CCC(Cl)C(=O)N2C)c(F)c1
InChIInChI=1S/C14H14ClF2NO3/c1-18-12(4-3-9(15)14(18)19)13-10(16)5-8(6-11(13)17)21-7-20-2/h4-6,9H,3,7H2,1-2H3
InChIKeySGHRMZPVRUNLSN-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one (CID 153451355) is 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one is COCOc1cc(F)c(C2=CCC(Cl)C(=O)N2C)c(F)c1.
What is the InChIKey of 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is SGHRMZPVRUNLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO3/c1-18-12(4-3-9(15)14(18)19)13-10(16)5-8(6-11(13)17)21-7-20-2/h4-6,9H,3,7H2,1-2H3.
What are the key properties of 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one?
3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 317.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).