Chemical ID: 5873726

c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)C(F)(F)F)NC(=O)Nc3ccccc3
Chemical ID:
5873726
Name [?]:
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)C(F)(F)F)NC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C23H20F3N3O2/c24-23(25,26)17-11-13-19(14-12-17)27-21(30)20(15-16-7-3-1-4-8-16)29-22(31)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,27,30)(H2,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,29,2,6,28,30,3,5,27,31,14,16,13,17,7,4,15,26,12,8,9,23,18,19,20,21,11,25,22,10,24/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25,26)/rA:31cCCCCCCCCCONCCCCCCCFFFNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s8;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20F3N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.3668
Area:615.861
Solvation:-4.02974
Coulombic:-76.2191
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.419
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.55
LogP (Chemaxon):5.54

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Descriptor Annotations

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