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

C21H18BrF2N3O3 — CID 56673498

IUPAC[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C21H18BrF2N3O3/c1-12-8-18(30-11-14-4-5-15(23)9-17(14)24)19(22)20(28)27(12)16-6-2-13(3-7-16)10-26-21(25)29/h2-9H,10-11H2,1H3,(H3,25,26,29)
InChIKeyBNTHWKPSWWCAAG-UHFFFAOYSA-N
MW478.29 g/mol
LogP3.93
Rot. Bonds6

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

[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea (PubChem CID 56673498) has the molecular formula C21H18BrF2N3O3 and a molecular weight of 478.29 g/mol. Its IUPAC name is [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
PubChem CID56673498
Molecular FormulaC21H18BrF2N3O3
Molecular Weight478.29 g/mol
Exact Mass477.05
IUPAC Name[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C21H18BrF2N3O3/c1-12-8-18(30-11-14-4-5-15(23)9-17(14)24)19(22)20(28)27(12)16-6-2-13(3-7-16)10-26-21(25)29/h2-9H,10-11H2,1H3,(H3,25,26,29)
InChIKeyBNTHWKPSWWCAAG-UHFFFAOYSA-N
XLogP3.93
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.29
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea with MolForge

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Related Compounds

PH 797804
CID 22049997
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2(1H)-one
CID 10151273
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
N-(4-fluorophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16008124
N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
CID 22049888
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide
CID 22049940
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
CID 22049953
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide
CID 22050254
N-[[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
CID 22050265

Frequently Asked Questions

What is the IUPAC name of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea?
The IUPAC name of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea (CID 56673498) is [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea.
What is the SMILES notation for [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea?
The canonical SMILES for [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(CNC(N)=O)cc1.
What is the InChIKey of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea?
The InChIKey is BNTHWKPSWWCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF2N3O3/c1-12-8-18(30-11-14-4-5-15(23)9-17(14)24)19(22)20(28)27(12)16-6-2-13(3-7-16)10-26-21(25)29/h2-9H,10-11H2,1H3,(H3,25,26,29).
What are the key properties of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea?
[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea has a molecular weight of 478.29 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]phenyl]methylurea is sourced from PubChem (CID 56673498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).