Chemical ID: 6367667

CCC(C)N(C(C)CC)C(=O)c1ccccc1Br
Chemical ID:
6367667
Name [?]:
2-bromo-N,N-disec-butyl-benzamide
SMILES [?]:
CCC(C)N(C(C)CC)C(=O)c1ccccc1Br
InChi [?]:
InChI=1/C15H22BrNO/c1-5-11(3)17(12(4)6-2)15(18)13-9-7-8-10-14(13)16/h7-12H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,4,7,2,8,14,15,13,16,3,6,12,17,10,18,5,11/E:(1,2)(3,4)(5,6)(11,12)/rA:18cCCCCNCCCCCOCCCCCCBr/rB:s1;s2;s3;s3;s5;s6;s6;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.97058
Area:419.157
Solvation:-1.50836
Coulombic:-19.6831
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.85
LogP (Chemaxon):4.43

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