2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

C23H23ClFN5O2 — CID 122326153

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1cc(Nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H23ClFN5O2/c1-15-13-21(29-23(26-15)30-9-11-32-12-10-30)27-16-5-7-17(8-6-16)28-22(31)14-18-19(24)3-2-4-20(18)25/h2-8,13H,9-12,14H2,1H3,(H,28,31)(H,26,27,29)
InChIKeySLKTZMCOXXAPLT-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 122326153) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID122326153
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1cc(Nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H23ClFN5O2/c1-15-13-21(29-23(26-15)30-9-11-32-12-10-30)27-16-5-7-17(8-6-16)28-22(31)14-18-19(24)3-2-4-20(18)25/h2-8,13H,9-12,14H2,1H3,(H,28,31)(H,26,27,29)
InChIKeySLKTZMCOXXAPLT-UHFFFAOYSA-N
XLogP4.34
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122326135
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-methylphenoxy)acetamide
CID 122326025
2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317294
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325152
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 122326153) is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is Cc1cc(Nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is SLKTZMCOXXAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c1-15-13-21(29-23(26-15)30-9-11-32-12-10-30)27-16-5-7-17(8-6-16)28-22(31)14-18-19(24)3-2-4-20(18)25/h2-8,13H,9-12,14H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 455.92 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122326153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).