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Chemical ID: 7304732

Chemical ID:

7304732

Name [?]:

N-(3,4-difluorophenyl)-2-(6-methylbenzofuran-3-yl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)occ2CC(=O)Nc3ccc(c(c3)F)F

InChi [?]:

InChI=1/C17H13F2NO2/c1-10-2-4-13-11(9-22-16(13)6-10)7-17(21)20-12-3-5-14(18)15(19)8-12/h2-6,8-9H,7H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,3,16,4,17,7,11,20,9,2,10,15,5,18,19,6,12,22,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₃F₂NO₂
All Atoms:	35
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.685
Area:	477.488
Solvation:	-5.2522
Coulombic:	-33.6477

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	301.287
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.53
LogP (Chemaxon):	4.54

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