N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C27H29FN2O5 — CID 55765507

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C27H29FN2O5/c1-3-4-15-34-24-14-13-19(16-25(24)33-2)17-29-27(32)20-9-5-8-12-23(20)35-18-26(31)30-22-11-7-6-10-21(22)28/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyUBBMZOXBNZFSHS-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.96
Rot. Bonds12

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 55765507) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID55765507
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C27H29FN2O5/c1-3-4-15-34-24-14-13-19(16-25(24)33-2)17-29-27(32)20-9-5-8-12-23(20)35-18-26(31)30-22-11-7-6-10-21(22)28/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyUBBMZOXBNZFSHS-UHFFFAOYSA-N
XLogP4.96
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 33395881
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26457178
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55797062
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 55765507) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is CCCCOc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is UBBMZOXBNZFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-3-4-15-34-24-14-13-19(16-25(24)33-2)17-29-27(32)20-9-5-8-12-23(20)35-18-26(31)30-22-11-7-6-10-21(22)28/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 480.54 g/mol, XLogP of 4.96, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).