[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate

C22H19BrF2N2O4 — CID 22050095

IUPAC[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(COC(N)=O)cc1
InChIInChI=1S/C22H19BrF2N2O4/c1-13-8-19(30-12-16-6-7-17(24)9-18(16)25)20(23)21(28)27(13)10-14-2-4-15(5-3-14)11-31-22(26)29/h2-9H,10-12H2,1H3,(H2,26,29)
InChIKeyDNSPGOSLSNHFDI-UHFFFAOYSA-N
MW493.30 g/mol
LogP4.42
Rot. Bonds7

About [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate

[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate (PubChem CID 22050095) has the molecular formula C22H19BrF2N2O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate
PubChem CID22050095
Molecular FormulaC22H19BrF2N2O4
Molecular Weight493.30 g/mol
Exact Mass492.05
IUPAC Name[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(COC(N)=O)cc1
InChIInChI=1S/C22H19BrF2N2O4/c1-13-8-19(30-12-16-6-7-17(24)9-18(16)25)20(23)21(28)27(13)10-14-2-4-15(5-3-14)11-31-22(26)29/h2-9H,10-12H2,1H3,(H2,26,29)
InChIKeyDNSPGOSLSNHFDI-UHFFFAOYSA-N
XLogP4.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate?
The IUPAC name of [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate (CID 22050095) is [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate.
What is the SMILES notation for [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate?
The canonical SMILES for [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(COC(N)=O)cc1.
What is the InChIKey of [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate?
The InChIKey is DNSPGOSLSNHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O4/c1-13-8-19(30-12-16-6-7-17(24)9-18(16)25)20(23)21(28)27(13)10-14-2-4-15(5-3-14)11-31-22(26)29/h2-9H,10-12H2,1H3,(H2,26,29).
What are the key properties of [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate?
[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate has a molecular weight of 493.30 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl carbamate is sourced from PubChem (CID 22050095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).