Chemical ID: 6632476

CC(CCC(=O)Nc1cccc(c1)Br)CC(=O)Nc2cccc(c2)Br
Chemical ID:
6632476
Name [?]:
N,N'-bis(3-bromophenyl)-3-methyl-hexanediamide
SMILES [?]:
CC(CCC(=O)Nc1cccc(c1)Br)CC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C19H20Br2N2O2/c1-13(10-19(25)23-17-7-3-5-15(21)12-17)8-9-18(24)22-16-6-2-4-14(20)11-16/h2-7,11-13H,8-10H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,10,21,11,22,9,20,3,4,15,13,24,2,12,23,8,19,5,16,14,25,7,18,6,17/rA:25cCCCCCONCCCCCCBrCCONCCCCCCBr/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s2;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Br2N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.081
Area:612.195
Solvation:-3.22388
Coulombic:-41.0595
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.182
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):5.41

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