Chemical ID: 5976443

CN(C)c1ccc(cc1C(=O)NCCOC)NC(=O)c2ccccc2Br
Chemical ID:
5976443
Name [?]:
5-(2-bromobenzoyl)amino-2-dimethylamino-N-(2-methoxyethyl)benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCCOC)NC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C19H22BrN3O3/c1-23(2)17-9-8-13(12-15(17)18(24)21-10-11-26-3)22-19(25)14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,16,22,23,21,24,6,5,13,14,8,7,20,9,25,4,10,18,26,12,17,2,11,19,15/E:(1,2)/rA:26nCNCCCCCCCCONCCOCNCOCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22BrN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.3312
Area:596.472
Solvation:-5.58061
Coulombic:-55.9115
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.3
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.22
LogP (Chemaxon):2.89

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