3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide

C20H16ClF2N3O3 — CID 21089299

IUPAC3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H16ClF2N3O3/c1-11-25-19(29-10-14-5-6-15(22)8-16(14)23)17(21)20(28)26(11)9-12-3-2-4-13(7-12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27)
InChIKeyXOOAXWFTFBQSOJ-UHFFFAOYSA-N
MW419.82 g/mol
LogP3.21
Rot. Bonds6

About 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide

3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide (PubChem CID 21089299) has the molecular formula C20H16ClF2N3O3 and a molecular weight of 419.82 g/mol. Its IUPAC name is 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
PubChem CID21089299
Molecular FormulaC20H16ClF2N3O3
Molecular Weight419.82 g/mol
Exact Mass419.08
IUPAC Name3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H16ClF2N3O3/c1-11-25-19(29-10-14-5-6-15(22)8-16(14)23)17(21)20(28)26(11)9-12-3-2-4-13(7-12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27)
InChIKeyXOOAXWFTFBQSOJ-UHFFFAOYSA-N
XLogP3.21
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-methylbenzamide
CID 21089260
N-[[4-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]-2-hydroxyacetamide
CID 21090291
N-(2-aminoethyl)-3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21090237
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 140551938
3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
CID 21035310
5-bromo-3-[[4-(bromomethyl)phenyl]methyl]-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089609
4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N,N-bis(2-hydroxyethyl)benzamide
CID 21089422
4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]pentanamide
CID 90745625
2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
CID 143212794
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089673
4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 21089424

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide (CID 21089299) is 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide is Cc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
The InChIKey is XOOAXWFTFBQSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O3/c1-11-25-19(29-10-14-5-6-15(22)8-16(14)23)17(21)20(28)26(11)9-12-3-2-4-13(7-12)18(24)27/h2-8H,9-10H2,1H3,(H2,24,27).
What are the key properties of 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide?
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide has a molecular weight of 419.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide is sourced from PubChem (CID 21089299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).