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

C23H21ClF2N2O3 — CID 21035310

IUPAC3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C23H21ClF2N2O3/c1-14-9-20(31-13-17-7-8-18(25)11-19(17)26)21(24)23(30)28(14)12-15-5-4-6-16(10-15)22(29)27(2)3/h4-11H,12-13H2,1-3H3
InChIKeyOCCWNUBLLSWGFE-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.42
Rot. Bonds6

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

3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide (PubChem CID 21035310) has the molecular formula C23H21ClF2N2O3 and a molecular weight of 446.88 g/mol. Its IUPAC name is 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
PubChem CID21035310
Molecular FormulaC23H21ClF2N2O3
Molecular Weight446.88 g/mol
Exact Mass446.12
IUPAC Name3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C23H21ClF2N2O3/c1-14-9-20(31-13-17-7-8-18(25)11-19(17)26)21(24)23(30)28(14)12-15-5-4-6-16(10-15)22(29)27(2)3/h4-11H,12-13H2,1-3H3
InChIKeyOCCWNUBLLSWGFE-UHFFFAOYSA-N
XLogP4.42
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
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
N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-(1H-indol-5-ylmethyl)-6-methylpyridin-2-one
CID 22050800
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21089299
1-[(3-aminophenyl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050290
butyl N-[[2-[[3-chloro-1-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
CID 91498288
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
CID 69069827
N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-methoxyacetamide
CID 22050071
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 142275038

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide (CID 21035310) is 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide?
The InChIKey is OCCWNUBLLSWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O3/c1-14-9-20(31-13-17-7-8-18(25)11-19(17)26)21(24)23(30)28(14)12-15-5-4-6-16(10-15)22(29)27(2)3/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide?
3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide has a molecular weight of 446.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 21035310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).