Chemical ID: 5894291

CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)Nc3ccc(c(c3)F)F
Chemical ID:
5894291
Name [?]:
5-[(3,4-difluorophenyl)carbamoylamino]-2-dimethylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C24H24F2N4O2/c1-15(16-7-5-4-6-8-16)27-23(31)19-13-17(10-12-22(19)30(2)3)28-24(32)29-18-9-11-20(25)21(26)14-18/h4-15H,1-3H3,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,4,8,26,15,27,16,13,30,2,3,14,25,12,28,29,17,10,22,32,31,9,21,24,18,11,23/E:(2,3)(5,6)(7,8)/rA:32cCCCCCCCCNCOCCCCCCNCCNCONCCCCCCFF/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;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24F2N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.6919
Area:665.649
Solvation:-5.9493
Coulombic:-69.2115
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.47
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.65
LogP (Chemaxon):5.14

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