N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide

C23H24F2N2O5 — CID 175393389

IUPACN-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H24F2N2O5/c1-31-20-11-14(22(29)23(30)26-16-5-3-2-4-6-16)7-10-19(20)32-13-21(28)27-18-9-8-15(24)12-17(18)25/h7-12,16H,2-6,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyBWXYUAVEYMCMMJ-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.62
Rot. Bonds8

About N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide

N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide (PubChem CID 175393389) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
PubChem CID175393389
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC NameN-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H24F2N2O5/c1-31-20-11-14(22(29)23(30)26-16-5-3-2-4-6-16)7-10-19(20)32-13-21(28)27-18-9-8-15(24)12-17(18)25/h7-12,16H,2-6,13H2,1H3,(H,26,30)(H,27,28)
InChIKeyBWXYUAVEYMCMMJ-UHFFFAOYSA-N
XLogP3.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
CID 175393416
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 42969107
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607054
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 47085137
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide (CID 175393389) is N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide is COc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The InChIKey is BWXYUAVEYMCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c1-31-20-11-14(22(29)23(30)26-16-5-3-2-4-6-16)7-10-19(20)32-13-21(28)27-18-9-8-15(24)12-17(18)25/h7-12,16H,2-6,13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide has a molecular weight of 446.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide is sourced from PubChem (CID 175393389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).