Chemical ID: 5976313

CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)Br
Chemical ID:
5976313
Name [?]:
5-(4-bromobenzoyl)amino-2-dimethylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C24H24BrN3O2/c1-16(17-7-5-4-6-8-17)26-24(30)21-15-20(13-14-22(21)28(2)3)27-23(29)18-9-11-19(25)12-10-18/h4-16H,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,4,8,25,29,26,28,15,16,13,2,3,24,27,14,12,17,22,10,30,9,21,18,23,11/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:30cCCCCCCCCNCOCCCCCCNCCNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24BrN3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.5323
Area:664.241
Solvation:-4.07375
Coulombic:-50.8123
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:466.37
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.64
LogP (Chemaxon):5.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue