Chemical ID: 6876167

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F)C
Chemical ID:
6876167
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C24H21F3N2O3/c1-15-6-7-16(2)21(12-15)29-22(30)14-32-20-10-8-17(9-11-20)23(31)28-19-5-3-4-18(13-19)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,32,24,25,23,3,4,15,17,14,18,7,27,11,2,5,16,26,22,13,6,9,19,28,29,30,31,21,8,10,20,12/E:(8,9)(10,11)(25,26,27)/rA:32nCCCCCCCNCOCOCCCCCCCONCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21F3N2O3
All Atoms:53
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.7423
Area:663.806
Solvation:-5.85285
Coulombic:-68.5665
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.43
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.23
LogP (Chemaxon):5.1

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Descriptor Annotations

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