Chemical ID: 7171909

COc1cc(ccc1OC(F)F)C(=O)NC2CCCCCC2
Chemical ID:
7171909
Name [?]:
N-cycloheptyl-4-(difluoromethoxy)-3-methoxy-benzamide
SMILES [?]:
COc1cc(ccc1OC(F)F)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C16H21F2NO3/c1-21-14-10-11(8-9-13(14)22-16(17)18)15(20)19-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,17,22,6,7,4,5,16,8,3,13,10,11,12,15,14,2,9/E:(2,3)(4,5)(6,7)(17,18)/rA:22nCOCCCCCCOCFFCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;d13;s13;s15;s16;s17;s18;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21F2NO3
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.57082
Area:488.06
Solvation:-4.63068
Coulombic:-49.4609
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.34
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.27

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Descriptor Annotations

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