N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide

C23H21ClF2N2O4 — CID 22050022

IUPACN-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
InChIInChI=1S/C23H21ClF2N2O4/c1-14-8-20(32-13-17-6-7-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-15(3-5-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30)
InChIKeyMZXAVKHTGQDLOY-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.32
Rot. Bonds8

About N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide

N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 22050022) has the molecular formula C23H21ClF2N2O4 and a molecular weight of 462.88 g/mol. Its IUPAC name is N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
PubChem CID22050022
Molecular FormulaC23H21ClF2N2O4
Molecular Weight462.88 g/mol
Exact Mass462.12
IUPAC NameN-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
InChIInChI=1S/C23H21ClF2N2O4/c1-14-8-20(32-13-17-6-7-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-15(3-5-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30)
InChIKeyMZXAVKHTGQDLOY-UHFFFAOYSA-N
XLogP3.32
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (CID 22050022) is N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(CNC(=O)CO)cc1.
What is the InChIKey of N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
The InChIKey is MZXAVKHTGQDLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O4/c1-14-8-20(32-13-17-6-7-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-15(3-5-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30).
What are the key properties of N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide has a molecular weight of 462.88 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 22050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).