ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7262094

Chemical ID:

7262094

Name [?]:

N-methyl-N-[(5-methyl-2-furyl)methyl]-4-phenoxy-benzamide

SMILES [?]:

Cc1ccc(o1)CN(C)C(=O)c2ccc(cc2)Oc3ccccc3

InChi [?]:

InChI=1/C20H19NO3/c1-15-8-11-19(23-15)14-21(2)20(22)16-9-12-18(13-10-16)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,22,21,23,20,24,3,13,17,4,14,16,7,2,12,19,15,5,10,8,11,6,18/E:(4,5)(6,7)(9,10)(12,13)/rA:24nCCCCCOCNCCOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s8;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉NO₃
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.86275
Area:	533.411
Solvation:	-3.47253
Coulombic:	-33.5719

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	321.37
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.69
LogP (Chemaxon):	3.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value