N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide

C26H27FN2O5 — CID 43008457

IUPACN-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)C(C)Oc2ccc(F)cc2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27FN2O5/c1-4-32-23-16-22(29-26(31)18-9-7-6-8-10-18)24(33-5-2)15-21(23)28-25(30)17(3)34-20-13-11-19(27)12-14-20/h6-17H,4-5H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyRFUDSQYJWWBSJB-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.28
Rot. Bonds10

About N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide (PubChem CID 43008457) has the molecular formula C26H27FN2O5 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
PubChem CID43008457
Molecular FormulaC26H27FN2O5
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC NameN-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)C(C)Oc2ccc(F)cc2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27FN2O5/c1-4-32-23-16-22(29-26(31)18-9-7-6-8-10-18)24(33-5-2)15-21(23)28-25(30)17(3)34-20-13-11-19(27)12-14-20/h6-17H,4-5H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyRFUDSQYJWWBSJB-UHFFFAOYSA-N
XLogP5.28
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 53266069
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
(2S)-2-(4-fluorophenoxy)-N-(4-fluoro-2-propoxyphenyl)propanamide
CID 96542067
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide (CID 43008457) is N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide is CCOc1cc(NC(=O)C(C)Oc2ccc(F)cc2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is RFUDSQYJWWBSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O5/c1-4-32-23-16-22(29-26(31)18-9-7-6-8-10-18)24(33-5-2)15-21(23)28-25(30)17(3)34-20-13-11-19(27)12-14-20/h6-17H,4-5H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 466.51 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 43008457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).