2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide

C22H23ClFN5O — CID 122325152

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C22H23ClFN5O/c1-14-6-8-16(9-7-14)28-20-12-15(2)27-22(29-20)26-11-10-25-21(30)13-17-18(23)4-3-5-19(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyZIEJIZPCYVZGAF-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.40
Rot. Bonds8

About 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 122325152) has the molecular formula C22H23ClFN5O and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID122325152
Molecular FormulaC22H23ClFN5O
Molecular Weight427.91 g/mol
Exact Mass427.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C22H23ClFN5O/c1-14-6-8-16(9-7-14)28-20-12-15(2)27-22(29-20)26-11-10-25-21(30)13-17-18(23)4-3-5-19(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyZIEJIZPCYVZGAF-UHFFFAOYSA-N
XLogP4.40
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide 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

2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
CID 122325017
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
2,5-dichloro-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-3-carboxamide
CID 122325148
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324837
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
2-(4-methoxy-3-methylphenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325097
1-(3,5-difluorophenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122324911
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122326153
2,3-dimethoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324842
2,4-dimethyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122324881
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide (CID 122325152) is 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide is Cc1ccc(Nc2cc(C)nc(NCCNC(=O)Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is ZIEJIZPCYVZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O/c1-14-6-8-16(9-7-14)28-20-12-15(2)27-22(29-20)26-11-10-25-21(30)13-17-18(23)4-3-5-19(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 427.91 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122325152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).