Chemical ID: 7270710

c1ccc(c(c1)NC(=O)CN(Cc2ccco2)C(=O)C3CCCCC3)Br
Chemical ID:
7270710
Name [?]:
N-[(2-bromophenyl)carbamoylmethyl]-N-(2-furylmethyl)cyclohexanecarboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN(Cc2ccco2)C(=O)C3CCCCC3)Br
InChi [?]:
InChI=1/C20H23BrN2O3/c21-17-10-4-5-11-18(17)22-19(24)14-23(13-16-9-6-12-26-16)20(25)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:23,22,24,2,1,15,21,25,14,3,6,16,12,10,20,13,4,5,8,18,26,7,11,9,19,17/E:(2,3)(7,8)/rA:26nCCCCCCNCOCNCCCCCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;s13s16;s11;d18;s18;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23BrN2O3
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4927
Area:570.13
Solvation:-3.76051
Coulombic:-44.8872
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.312
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.71
LogP (Chemaxon):3.28

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