ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7531447

Chemical ID:

7531447

Name [?]:

N-(2-furylmethyl)-4-[(3-methylphenoxy)methyl]benzamide

SMILES [?]:

Cc1cccc(c1)OCc2ccc(cc2)C(=O)NCc3ccco3

InChi [?]:

InChI=1/C20H19NO3/c1-15-4-2-5-18(12-15)24-14-16-7-9-17(10-8-16)20(22)21-13-19-6-3-11-23-19/h2-12H,13-14H2,1H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,4,22,3,5,21,11,15,12,14,23,7,19,9,2,10,13,6,20,16,18,17,24,8/E:(7,8)(9,10)/rA:24nCCCCCCCOCCCCCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉NO₃
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	9.74287
Area:	564.241
Solvation:	-4.36315
Coulombic:	-38.0698

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.9
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value