N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide

C20H22F2N2O3 — CID 7930227

IUPACN-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)23-10-19(25)24-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXNKUBTUFSXZGFI-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.53
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide (PubChem CID 7930227) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide
PubChem CID7930227
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)23-10-19(25)24-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXNKUBTUFSXZGFI-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 27772708
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 55401009
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide (CID 7930227) is N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide?
The InChIKey is XNKUBTUFSXZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)23-10-19(25)24-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide has a molecular weight of 376.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 7930227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).