Chemical ID: 5595796

CCN(CC(=O)Nc1ccc(cc1)OC)CC(=O)Nc2cccc(c2)Br
Chemical ID:
5595796
Name [?]:
2-[(3-bromophenyl)carbamoylmethyl-ethyl-amino]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
CCN(CC(=O)Nc1ccc(cc1)OC)CC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C19H22BrN3O3/c1-3-23(13-19(25)22-16-6-4-5-14(20)11-16)12-18(24)21-15-7-9-17(26-2)10-8-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,15,2,22,23,21,9,13,10,12,25,4,16,24,8,20,11,5,17,26,7,19,3,6,18,14/E:(7,8)(9,10)/rA:26cCCNCCONCCCCCCOCCCONCCCCCCBr/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s3;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22BrN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.40715
Area:608.505
Solvation:-5.80548
Coulombic:-52.1614
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.3
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.68
LogP (Chemaxon):3.2

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