Chemical ID: 4733063

CC(C)c1ccc(cc1)NC(=O)C(c2ccccc2)Br
Chemical ID:
4733063
Name [?]:
2-bromo-N-(4-isopropylphenyl)-2-phenyl-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)C(c2ccccc2)Br
InChi [?]:
InChI=1/C17H18BrNO/c1-12(2)13-8-10-15(11-9-13)19-17(20)16(18)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,5,9,6,8,2,4,14,7,13,11,20,10,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20cCCCCCCCCCNCOCCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.0986
Area:493.121
Solvation:-2.22938
Coulombic:-23.6963
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.235
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.75
LogP (Chemaxon):5.19

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