Chemical ID: 4099102

CC(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)Br
Chemical ID:
4099102
Name [?]:
3-(4-bromophenyl)-1-(4-isopropylphenyl)-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C16H17BrN2O/c1-11(2)12-3-7-14(8-4-12)18-16(20)19-15-9-5-13(17)6-10-15/h3-11H,1-2H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,16,18,6,8,15,19,2,4,17,7,14,11,20,10,13,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCCNCONCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5091
Area:490.585
Solvation:-1.75555
Coulombic:-36.2939
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.223
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.68
LogP (Chemaxon):5.49

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