[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea

C23H23ClFN3O4 — CID 69069827

IUPAC[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
SMILESCOc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3CNC(N)=O)c(Cl)c2=O)cc1
InChIInChI=1S/C23H23ClFN3O4/c1-14-9-20(32-13-16-5-6-18(25)10-17(16)11-27-23(26)30)21(24)22(29)28(14)12-15-3-7-19(31-2)8-4-15/h3-10H,11-13H2,1-2H3,(H3,26,27,30)
InChIKeyHBKQJVWEORPLQC-UHFFFAOYSA-N
MW459.91 g/mol
LogP3.75
Rot. Bonds8

About [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea

[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea (PubChem CID 69069827) has the molecular formula C23H23ClFN3O4 and a molecular weight of 459.91 g/mol. Its IUPAC name is [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea.

Molecular Properties

Compound Name[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
PubChem CID69069827
Molecular FormulaC23H23ClFN3O4
Molecular Weight459.91 g/mol
Exact Mass459.14
IUPAC Name[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
SMILESCOc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3CNC(N)=O)c(Cl)c2=O)cc1
InChIInChI=1S/C23H23ClFN3O4/c1-14-9-20(32-13-16-5-6-18(25)10-17(16)11-27-23(26)30)21(24)22(29)28(14)12-15-3-7-19(31-2)8-4-15/h3-10H,11-13H2,1-2H3,(H3,26,27,30)
InChIKeyHBKQJVWEORPLQC-UHFFFAOYSA-N
XLogP3.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea with MolForge

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Launch Full Analysis

Related Compounds

butyl N-[[2-[[3-chloro-1-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
CID 91498288
N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
CID 21035310
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-(1H-indol-5-ylmethyl)-6-methylpyridin-2-one
CID 22050800
4-[(2,4-difluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 22050000
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050766
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 22050412
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 142275038
N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
CID 22050076
N-[[4-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]-2-hydroxyacetamide
CID 21090291
N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-methoxyacetamide
CID 22050071

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea?
The IUPAC name of [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea (CID 69069827) is [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea.
What is the SMILES notation for [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea?
The canonical SMILES for [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea is COc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3CNC(N)=O)c(Cl)c2=O)cc1.
What is the InChIKey of [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea?
The InChIKey is HBKQJVWEORPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4/c1-14-9-20(32-13-16-5-6-18(25)10-17(16)11-27-23(26)30)21(24)22(29)28(14)12-15-3-7-19(31-2)8-4-15/h3-10H,11-13H2,1-2H3,(H3,26,27,30).
What are the key properties of [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea?
[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea has a molecular weight of 459.91 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea is sourced from PubChem (CID 69069827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).