Chemical ID: 4240624

c1cc(c(cc1Br)C(=O)NC2C3CC4CC(C3)CC2C4)Cl
Chemical ID:
4240624
Name [?]:
N-(2-adamantyl)-5-bromo-2-chloro-benzamide
SMILES [?]:
c1cc(c(cc1Br)C(=O)NC2C3CC4CC(C3)CC2C4)Cl
InChi [?]:
InChI=1/C17H19BrClNO/c18-13-1-2-15(19)14(8-13)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,15,13,20,17,18,5,14,16,12,19,6,4,3,11,8,7,21,10,9/E:(4,5,6,7)(9,10)(11,12)/rA:21nCCCCCCBrCONCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19BrClNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.3643
Area:480.14
Solvation:-1.63922
Coulombic:-23.5165
Bond Count [?]
All:24
Single:20
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:368.696
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.61
LogP (Chemaxon):4.3

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Experimental Annotations

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Descriptor Annotations

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