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

C22H18ClF2NO4 — CID 69021901

IUPAC4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
SMILESCc1cc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)ccc1C(=O)O
InChIInChI=1S/C22H18ClF2NO4/c1-12-7-14(3-6-17(12)22(28)29)10-26-13(2)8-19(20(23)21(26)27)30-11-15-4-5-16(24)9-18(15)25/h3-9H,10-11H2,1-2H3,(H,28,29)
InChIKeyBCVPDIYGYIJORQ-UHFFFAOYSA-N
MW433.84 g/mol
LogP4.72
Rot. Bonds6

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

4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid (PubChem CID 69021901) has the molecular formula C22H18ClF2NO4 and a molecular weight of 433.84 g/mol. Its IUPAC name is 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
PubChem CID69021901
Molecular FormulaC22H18ClF2NO4
Molecular Weight433.84 g/mol
Exact Mass433.09
IUPAC Name4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
SMILESCc1cc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)ccc1C(=O)O
InChIInChI=1S/C22H18ClF2NO4/c1-12-7-14(3-6-17(12)22(28)29)10-26-13(2)8-19(20(23)21(26)27)30-11-15-4-5-16(24)9-18(15)25/h3-9H,10-11H2,1-2H3,(H,28,29)
InChIKeyBCVPDIYGYIJORQ-UHFFFAOYSA-N
XLogP4.72
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
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
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
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
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyridin-2-one
CID 22050971
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050766
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 142275038
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 10194628
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 11270757

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid?
The IUPAC name of 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid (CID 69021901) is 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid?
The canonical SMILES for 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid is Cc1cc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)ccc1C(=O)O.
What is the InChIKey of 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid?
The InChIKey is BCVPDIYGYIJORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2NO4/c1-12-7-14(3-6-17(12)22(28)29)10-26-13(2)8-19(20(23)21(26)27)30-11-15-4-5-16(24)9-18(15)25/h3-9H,10-11H2,1-2H3,(H,28,29).
What are the key properties of 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid?
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid has a molecular weight of 433.84 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid is sourced from PubChem (CID 69021901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).