Chemical ID: 6397624

c1cc(cc(c1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
6397624
Name [?]:
N-(3-bromophenyl)adamantane-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H20BrNO/c18-14-2-1-3-15(7-14)19-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,17,19,4,16,12,20,15,13,18,5,3,9,11,7,8,10/E:(4,5,6)(8,9,10)(11,12,13)/rA:20nCCCCCCBrNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20BrNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.77148
Area:449.622
Solvation:-1.46907
Coulombic:-22.5122
Bond Count [?]
All:23
Single:19
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.251
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):4.69

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