N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide

C24H20ClFN4O3 — CID 46346672

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1C#N
InChIInChI=1S/C24H20ClFN4O3/c1-14-9-15(2)30(24(33)18(14)11-27)13-22(31)29-21-6-4-3-5-17(21)23(32)28-12-16-7-8-20(26)19(25)10-16/h3-10H,12-13H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyCEDWOSWYMXNWJZ-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.70
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide (PubChem CID 46346672) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide
PubChem CID46346672
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1C#N
InChIInChI=1S/C24H20ClFN4O3/c1-14-9-15(2)30(24(33)18(14)11-27)13-22(31)29-21-6-4-3-5-17(21)23(32)28-12-16-7-8-20(26)19(25)10-16/h3-10H,12-13H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyCEDWOSWYMXNWJZ-UHFFFAOYSA-N
XLogP3.70
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide with MolForge

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Related Compounds

2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 46346674
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
CID 46346640
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
CID 53054682
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide (CID 46346672) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1C#N.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The InChIKey is CEDWOSWYMXNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c1-14-9-15(2)30(24(33)18(14)11-27)13-22(31)29-21-6-4-3-5-17(21)23(32)28-12-16-7-8-20(26)19(25)10-16/h3-10H,12-13H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide has a molecular weight of 466.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide is sourced from PubChem (CID 46346672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).