N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide

C20H16ClN5O2 — CID 118726880

IUPACN-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cnc(Nc2ccc(C#N)cc2)nc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O2/c1-13-11-23-20(25-17-6-2-14(10-22)3-7-17)26-19(13)28-12-18(27)24-16-8-4-15(21)5-9-16/h2-9,11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyUPJBIFVQDVRZDS-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.07
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide

N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide (PubChem CID 118726880) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide
PubChem CID118726880
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide
SMILESCc1cnc(Nc2ccc(C#N)cc2)nc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O2/c1-13-11-23-20(25-17-6-2-14(10-22)3-7-17)26-19(13)28-12-18(27)24-16-8-4-15(21)5-9-16/h2-9,11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyUPJBIFVQDVRZDS-UHFFFAOYSA-N
XLogP4.07
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
4-[[5-chloro-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 22170104
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
4-[[4-[4-(2-methoxyethyl)phenoxy]-5-methylpyrimidin-2-yl]amino]benzonitrile
CID 71740683
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(4-cyanophenyl)-2-(6-methylpyrimidin-4-yl)oxyacetamide
CID 110864932
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
ethyl 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 134914820
[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide (CID 118726880) is N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide is Cc1cnc(Nc2ccc(C#N)cc2)nc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide?
The InChIKey is UPJBIFVQDVRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-13-11-23-20(25-17-6-2-14(10-22)3-7-17)26-19(13)28-12-18(27)24-16-8-4-15(21)5-9-16/h2-9,11H,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide?
N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide has a molecular weight of 393.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-cyanoanilino)-5-methylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 118726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).