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Chemical ID: 5535027

Chemical ID:

5535027

Name [?]:

4-[2-(4-ethylphenoxy)acetyl]aminobenzamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)N

InChi [?]:

InChI=1/C17H18N2O3/c1-2-12-3-9-15(10-4-12)22-11-16(20)19-14-7-5-13(6-8-14)17(18)21/h3-10H,2,11H2,1H3,(H2,18,21)(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,4,8,16,18,15,19,5,7,10,3,17,14,6,11,20,22,13,12,21,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCOCCONCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.07148
Area:	524.936
Solvation:	-5.05192
Coulombic:	-54.2581

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	298.336
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.46
LogP (Chemaxon):	2.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value